Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
Filtered Search Results
Sulfasalazine, 97%
CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
| CAS | 599-79-1 |
|---|---|
| Molecular Weight (g/mol) | 398.39 |
| SMILES | OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |
| IUPAC Name | (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid |
| InChI Key | OQANPHBRHBJGNZ-BKUYFWCQSA-N |
| Molecular Formula | C18H14N4O5S |
Cyclohexanemethanol, 99%
CAS: 100-49-2 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 InChI Key: VSSAZBXXNIABDN-UHFFFAOYSA-N Synonym: cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane PubChem CID: 7507 IUPAC Name: cyclohexylmethanol SMILES: C1CCC(CC1)CO
| PubChem CID | 7507 |
|---|---|
| CAS | 100-49-2 |
| Molecular Weight (g/mol) | 114.19 |
| SMILES | C1CCC(CC1)CO |
| Synonym | cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane |
| IUPAC Name | cyclohexylmethanol |
| InChI Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
Mineral oil, for spectroscopy, suitable for nujol mull preparations for IR-spect.
CAS: 8042-47-5 Molecular Formula: C16H10N2Na2O7S2 Molecular Weight (g/mol): 452.363 MDL Number: MFCD00131611 InChI Key: AEOVEGJBKQQFOP-DDVLFWKVSA-L Synonym: acid orange 10,wool orange 2g,orange g,c.i. acid orange 10,c.i. orange g,c.i. food orange 4,light orange g,colacid orange g,dolkwal orange g,hexacol orange g PubChem CID: 9566064 IUPAC Name: disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate SMILES: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 9566064 |
|---|---|
| CAS | 8042-47-5 |
| Molecular Weight (g/mol) | 452.363 |
| MDL Number | MFCD00131611 |
| SMILES | C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | acid orange 10,wool orange 2g,orange g,c.i. acid orange 10,c.i. orange g,c.i. food orange 4,light orange g,colacid orange g,dolkwal orange g,hexacol orange g |
| IUPAC Name | disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate |
| InChI Key | AEOVEGJBKQQFOP-DDVLFWKVSA-L |
| Molecular Formula | C16H10N2Na2O7S2 |
1,3-Bis[tris(hydroxymethyl)amino]propane, 99%
CAS: 64431-96-5 Molecular Formula: C11H26N2O6 Molecular Weight (g/mol): 282.33 MDL Number: MFCD00004689 InChI Key: HHKZCCWKTZRCCL-UHFFFAOYSA-N Synonym: bis-tris propane,1,3-bis tris hydroxymethyl methylamino propane,2,2'-propane-1,3-diylbis azanediyl bis 2-hydroxymethyl propane-1,3-diol,2-3-2-hydroxy-1,1-dihydroxymethyl-ethylamino-propylamino-2-hydroxymethyl-propane-1,3-diol,1,3-propanediol, 2,2'-1,3-propanediyldiimino bis 2-hydroxymethyl,2,2'-propane-1,3-diyldiimino bis 2-hydroxymethyl propane-1,3-diol,2-3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino propylamino-2-hydroxymethyl propane-1,3-diol,b3p PubChem CID: 125132 ChEBI: CHEBI:40947 IUPAC Name: 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol SMILES: C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
| PubChem CID | 125132 |
|---|---|
| CAS | 64431-96-5 |
| Molecular Weight (g/mol) | 282.33 |
| ChEBI | CHEBI:40947 |
| MDL Number | MFCD00004689 |
| SMILES | C(CNC(CO)(CO)CO)CNC(CO)(CO)CO |
| Synonym | bis-tris propane,1,3-bis tris hydroxymethyl methylamino propane,2,2'-propane-1,3-diylbis azanediyl bis 2-hydroxymethyl propane-1,3-diol,2-3-2-hydroxy-1,1-dihydroxymethyl-ethylamino-propylamino-2-hydroxymethyl-propane-1,3-diol,1,3-propanediol, 2,2'-1,3-propanediyldiimino bis 2-hydroxymethyl,2,2'-propane-1,3-diyldiimino bis 2-hydroxymethyl propane-1,3-diol,2-3-2-hydroxy-1,1-bis hydroxymethyl ethyl amino propylamino-2-hydroxymethyl propane-1,3-diol,b3p |
| IUPAC Name | 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | HHKZCCWKTZRCCL-UHFFFAOYSA-N |
| Molecular Formula | C11H26N2O6 |
Sodium n-octyl sulfate, 99%
CAS: 142-31-4 Molecular Formula: C8H17NaO4S Molecular Weight (g/mol): 232.27 MDL Number: MFCD00007470 InChI Key: WFRKJMRGXGWHBM-UHFFFAOYSA-M Synonym: sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt PubChem CID: 2735107 IUPAC Name: sodium;octyl sulfate SMILES: CCCCCCCCOS(=O)(=O)[O-].[Na+]
| PubChem CID | 2735107 |
|---|---|
| CAS | 142-31-4 |
| Molecular Weight (g/mol) | 232.27 |
| MDL Number | MFCD00007470 |
| SMILES | CCCCCCCCOS(=O)(=O)[O-].[Na+] |
| Synonym | sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt |
| IUPAC Name | sodium;octyl sulfate |
| InChI Key | WFRKJMRGXGWHBM-UHFFFAOYSA-M |
| Molecular Formula | C8H17NaO4S |
Propargyl Bromide (stabilized with MgO) 97.0+%, TCI America™
CAS: 106-96-7 Molecular Formula: C3H3Br Molecular Weight (g/mol): 118.961 MDL Number: MFCD00000241 InChI Key: YORCIIVHUBAYBQ-UHFFFAOYSA-N Synonym: propargyl bromide,3-bromopropyne,3-bromo-1-propyne,1-propyne, 3-bromo,2-propynyl bromide,propynyl bromide,1-bromo-2-propyne,propyne, 3-bromo,gamma-bromoallylene,1-brom-2-propin PubChem CID: 7842 IUPAC Name: 3-bromoprop-1-yne SMILES: C#CCBr
| PubChem CID | 7842 |
|---|---|
| CAS | 106-96-7 |
| Molecular Weight (g/mol) | 118.961 |
| MDL Number | MFCD00000241 |
| SMILES | C#CCBr |
| Synonym | propargyl bromide,3-bromopropyne,3-bromo-1-propyne,1-propyne, 3-bromo,2-propynyl bromide,propynyl bromide,1-bromo-2-propyne,propyne, 3-bromo,gamma-bromoallylene,1-brom-2-propin |
| IUPAC Name | 3-bromoprop-1-yne |
| InChI Key | YORCIIVHUBAYBQ-UHFFFAOYSA-N |
| Molecular Formula | C3H3Br |
1H,1H,2H,2H-Perfluorooctanol, 97%
CAS: 647-42-7 Molecular Formula: C8H5F13O Molecular Weight (g/mol): 364.106 MDL Number: MFCD00042143 InChI Key: GRJRKPMIRMSBNK-UHFFFAOYSA-N Synonym: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octanol,2-perfluorohexyl ethanol,1h,1h,2h,2h-perfluorooctan-1-ol,1h,1h,2h,2h-perfluorooctanol,1h,1h,2h,2h-perfluoro-1-octanol,unii-g2r5yo5n3v,1-octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro,1h,1h,2h,2h-tridecafluoro-1-n-octanol,g2r5yo5n3v,1,1,2,2-tetrahydroperfluoro-1-octanol PubChem CID: 69537 IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol SMILES: C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
| PubChem CID | 69537 |
|---|---|
| CAS | 647-42-7 |
| Molecular Weight (g/mol) | 364.106 |
| MDL Number | MFCD00042143 |
| SMILES | C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| Synonym | 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octanol,2-perfluorohexyl ethanol,1h,1h,2h,2h-perfluorooctan-1-ol,1h,1h,2h,2h-perfluorooctanol,1h,1h,2h,2h-perfluoro-1-octanol,unii-g2r5yo5n3v,1-octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro,1h,1h,2h,2h-tridecafluoro-1-n-octanol,g2r5yo5n3v,1,1,2,2-tetrahydroperfluoro-1-octanol |
| IUPAC Name | 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol |
| InChI Key | GRJRKPMIRMSBNK-UHFFFAOYSA-N |
| Molecular Formula | C8H5F13O |
sym-Diphenylcarbazide, 98%, ACS reagent
CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.28 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
| PubChem CID | 8789 |
|---|---|
| CAS | 140-22-7 |
| Molecular Weight (g/mol) | 242.28 |
| ChEBI | CHEBI:4641 |
| SMILES | C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2 |
| Synonym | 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl |
| IUPAC Name | 1,3-dianilinourea |
| InChI Key | KSPIHGBHKVISFI-UHFFFAOYSA-N |
| Molecular Formula | C13H14N4O |
Dextran 40 (Mw.=ca. 40,000), TCI America™
CAS: 9004-54-0 Molecular Formula: (C6H9O5)n(C6H10O5)m Molecular Weight (g/mol): 504.44 MDL Number: MFCD00130935 InChI Key: FZWBNHMXJMCXLU-UHFFFAOYNA-N Synonym: dextran,dextran, mw-86.000 aver.,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy hexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxymethyl oxan-2-yl oxyhexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydropyran-2-yl oxymethyl tetrahydropyran-2-yl oxy-hexanal PubChem CID: 4125253 IUPAC Name: Dextran SMILES: O[C@@H]1[C@@H](O)[C@@H](-*)O[C@H](CO[C@H]2O[C@H](CO-*)[C@@H](O)[C@H](O-*)[C@H]2O)[C@H]1O
| PubChem CID | 4125253 |
|---|---|
| CAS | 9004-54-0 |
| Molecular Weight (g/mol) | 504.44 |
| MDL Number | MFCD00130935 |
| SMILES | O[C@@H]1[C@@H](O)[C@@H](-*)O[C@H](CO[C@H]2O[C@H](CO-*)[C@@H](O)[C@H](O-*)[C@H]2O)[C@H]1O |
| Synonym | dextran,dextran, mw-86.000 aver.,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy hexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxymethyl oxan-2-yl oxyhexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydropyran-2-yl oxymethyl tetrahydropyran-2-yl oxy-hexanal |
| IUPAC Name | Dextran |
| InChI Key | FZWBNHMXJMCXLU-UHFFFAOYNA-N |
| Molecular Formula | (C6H9O5)n(C6H10O5)m |
1,2-Propanediol, 98+%
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| MDL Number | MFCD00064272 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Thermo Scientific Chemicals Hesperidin, 90+%
CAS: 520-26-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.57 MDL Number: MFCD00075663 InChI Key: QUQPHWDTPGMPEX-QJBIFVCTSA-N PubChem CID: 45358131 SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
| PubChem CID | 45358131 |
|---|---|
| CAS | 520-26-3 |
| Molecular Weight (g/mol) | 610.57 |
| MDL Number | MFCD00075663 |
| SMILES | COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1 |
| InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
| Molecular Formula | C28H34O15 |
Nicotinamide 99.0+%, TCI America™
CAS: 98-92-0 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006395 InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N Synonym: nicotinamide,niacinamide,3-pyridinecarboxamide,vitamin pp,nicotinic acid amide,papulex,aminicotin,amixicotyn,nicobion,nicotylamide PubChem CID: 936 ChEBI: CHEBI:17154 IUPAC Name: pyridine-3-carboxamide SMILES: C1=CC(=CN=C1)C(=O)N
| PubChem CID | 936 |
|---|---|
| CAS | 98-92-0 |
| Molecular Weight (g/mol) | 122.127 |
| ChEBI | CHEBI:17154 |
| MDL Number | MFCD00006395 |
| SMILES | C1=CC(=CN=C1)C(=O)N |
| Synonym | nicotinamide,niacinamide,3-pyridinecarboxamide,vitamin pp,nicotinic acid amide,papulex,aminicotin,amixicotyn,nicobion,nicotylamide |
| IUPAC Name | pyridine-3-carboxamide |
| InChI Key | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
N-Decanoyl-N-methyl-D-glucamine
CAS: 85261-20-7 Molecular Formula: C17H35NO6 Molecular Weight (g/mol): 349.468 MDL Number: MFCD00036801 InChI Key: UMWKZHPREXJQGR-XOSAIJSUSA-N Synonym: n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer PubChem CID: 174432 IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide SMILES: CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
| PubChem CID | 174432 |
|---|---|
| CAS | 85261-20-7 |
| Molecular Weight (g/mol) | 349.468 |
| MDL Number | MFCD00036801 |
| SMILES | CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O |
| Synonym | n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer |
| IUPAC Name | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide |
| InChI Key | UMWKZHPREXJQGR-XOSAIJSUSA-N |
| Molecular Formula | C17H35NO6 |
Triethyl citrate, 99%
CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.285 MDL Number: MFCD00009201 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N Synonym: triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester PubChem CID: 6506 IUPAC Name: triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
| PubChem CID | 6506 |
|---|---|
| CAS | 77-93-0 |
| Molecular Weight (g/mol) | 276.285 |
| MDL Number | MFCD00009201 |
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O |
| Synonym | triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester |
| IUPAC Name | triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
Thermo Scientific Chemicals Chlorogenic acid, 98%
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |