Benzenoids
Filtered Search Results
2-Hydroxy-5-nitrobenzaldehyde, 98%
CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 66808 |
|---|---|
| CAS | 97-51-8 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00007337 |
| SMILES | OC1=CC=C(C=C1C=O)[N+]([O-])=O |
| Synonym | 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 |
| IUPAC Name | 2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | IHFRMUGEILMHNU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
2,6-Bis(hydroxymethyl)-p-cresol, tech. 90%
CAS: 91-04-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004619 InChI Key: KUMMBDBTERQYCG-UHFFFAOYSA-N Synonym: 2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene PubChem CID: 7039 IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol SMILES: CC1=CC(=C(C(=C1)CO)O)CO
| PubChem CID | 7039 |
|---|---|
| CAS | 91-04-3 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00004619 |
| SMILES | CC1=CC(=C(C(=C1)CO)O)CO |
| Synonym | 2,6-bis hydroxymethyl-4-methylphenol,2,6-bis hydroxymethyl-p-cresol,2,6-dimethylol-p-cresol,2-hydroxy-5-methyl-1,3-phenylene dimethanol,2,6-dimethylol-4-methylphenol,2,6-di hydroxymethyl-p-cresol,1,3-benzenedimethanol, 2-hydroxy-5-methyl,2-hydroxy-5-methyl-1,3-benzenedimethanol,3,5-bis hydroxymethyl-p-cresol,alpha1,alpha,2-trihydroxymesitylene |
| IUPAC Name | 2,6-bis(hydroxymethyl)-4-methylphenol |
| InChI Key | KUMMBDBTERQYCG-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
4-Iodophenylacetic acid, 97%
CAS: 1798-06-7 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00082985 InChI Key: FJSHTWVDFAUNCO-UHFFFAOYSA-N Synonym: 4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid PubChem CID: 137214 IUPAC Name: 2-(4-iodophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)I
| PubChem CID | 137214 |
|---|---|
| CAS | 1798-06-7 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00082985 |
| SMILES | C1=CC(=CC=C1CC(=O)O)I |
| Synonym | 4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid |
| IUPAC Name | 2-(4-iodophenyl)acetic acid |
| InChI Key | FJSHTWVDFAUNCO-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
2-Fluoro-4-(trifluoromethyl)benzaldehyde, 97%
CAS: 89763-93-9 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 MDL Number: MFCD00061310 InChI Key: KFEHNXLFIGPWNB-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde PubChem CID: 522929 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=O
| PubChem CID | 522929 |
|---|---|
| CAS | 89763-93-9 |
| Molecular Weight (g/mol) | 192.113 |
| MDL Number | MFCD00061310 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)C=O |
| Synonym | 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde |
| IUPAC Name | 2-fluoro-4-(trifluoromethyl)benzaldehyde |
| InChI Key | KFEHNXLFIGPWNB-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |
Sodium Terephthalate, MP Biomedicals
CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 82305 |
|---|---|
| CAS | 10028-70-3 |
| Molecular Weight (g/mol) | 210.096 |
| SMILES | C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? |
| IUPAC Name | disodium;terephthalate |
| InChI Key | VIQSRHWJEKERKR-UHFFFAOYSA-L |
| Molecular Formula | C8H4Na2O4 |
Probenecid, 99.8%, MP Biomedicals™
CAS: 57-66-9 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.36 MDL Number: MFCD00038402 InChI Key: DBABZHXKTCFAPX-UHFFFAOYSA-N Synonym: probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin PubChem CID: 4911 ChEBI: CHEBI:8426 IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 4911 |
|---|---|
| CAS | 57-66-9 |
| Molecular Weight (g/mol) | 285.36 |
| ChEBI | CHEBI:8426 |
| MDL Number | MFCD00038402 |
| SMILES | CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O |
| Synonym | probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin |
| IUPAC Name | 4-(dipropylsulfamoyl)benzoic acid |
| InChI Key | DBABZHXKTCFAPX-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO4S |
Ethyl 3-chlorobenzoate, 98+%
CAS: 1128-76-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00013634 InChI Key: LVFRSNCBCHABAM-UHFFFAOYSA-N Synonym: benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 PubChem CID: 70785 IUPAC Name: ethyl 3-chlorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 70785 |
|---|---|
| CAS | 1128-76-3 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00013634 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Cl |
| Synonym | benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 |
| IUPAC Name | ethyl 3-chlorobenzoate |
| InChI Key | LVFRSNCBCHABAM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
4-Bromo-3-fluorotoluene, 98%
CAS: 452-74-4 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00040940 InChI Key: SLFNGVGRINFJLK-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorotoluene,3-fluoro-4-bromotoluene,benzene, 1-bromo-2-fluoro-4-methyl,3-fluoro-4-bromo-toluene,4-bromo-3-fluoro-1-methylbenzene,1-bromo-2-fluoro-4-methyl-benzene,3-fluoro-4-bromo-toluone,1-brom-2-fluor-4-methylbenzol,zlchem 562 PubChem CID: 573280 IUPAC Name: 1-bromo-2-fluoro-4-methylbenzene SMILES: CC1=CC(=C(C=C1)Br)F
| PubChem CID | 573280 |
|---|---|
| CAS | 452-74-4 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00040940 |
| SMILES | CC1=CC(=C(C=C1)Br)F |
| Synonym | 4-bromo-3-fluorotoluene,3-fluoro-4-bromotoluene,benzene, 1-bromo-2-fluoro-4-methyl,3-fluoro-4-bromo-toluene,4-bromo-3-fluoro-1-methylbenzene,1-bromo-2-fluoro-4-methyl-benzene,3-fluoro-4-bromo-toluone,1-brom-2-fluor-4-methylbenzol,zlchem 562 |
| IUPAC Name | 1-bromo-2-fluoro-4-methylbenzene |
| InChI Key | SLFNGVGRINFJLK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
2-Methyl-3,5-dinitrobenzoic acid, 97+%
CAS: 28169-46-2 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.14 MDL Number: MFCD00007161 InChI Key: CDVNZMKTJIBBBV-UHFFFAOYSA-N Synonym: 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro PubChem CID: 98824 IUPAC Name: 2-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
| PubChem CID | 98824 |
|---|---|
| CAS | 28169-46-2 |
| Molecular Weight (g/mol) | 226.14 |
| MDL Number | MFCD00007161 |
| SMILES | CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Synonym | 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro |
| IUPAC Name | 2-methyl-3,5-dinitrobenzoic acid |
| InChI Key | CDVNZMKTJIBBBV-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O6 |
Melanin, MP Biomedicals™
CAS: 8049-97-6 Molecular Formula: C18H10N2O4 Molecular Weight (g/mol): 318.288 InChI Key: XUMBMVFBXHLACL-UHFFFAOYSA-N Synonym: melanin,phaeomelanins,d0wq4g,melanin from sepia officinalis,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1; 2,5 .0; 13,17 .0; 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1^ 2,5 .0^ 13,17 .0^ 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone PubChem CID: 6325610 SMILES: CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O
| PubChem CID | 6325610 |
|---|---|
| CAS | 8049-97-6 |
| Molecular Weight (g/mol) | 318.288 |
| SMILES | CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O |
| Synonym | melanin,phaeomelanins,d0wq4g,melanin from sepia officinalis,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1; 2,5 .0; 13,17 .0; 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1^ 2,5 .0^ 13,17 .0^ 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone |
| InChI Key | XUMBMVFBXHLACL-UHFFFAOYSA-N |
| Molecular Formula | C18H10N2O4 |
p-Dimethylamino-Benzaldehyde, ACS, MP Biomedicals™
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Nortriptyline Hydrochloride, MP Biomedicals™
CAS: 894-71-3 Molecular Formula: C19H22ClN Molecular Weight (g/mol): 299.84 MDL Number: MFCD00058024 InChI Key: SHAYBENGXDALFF-UHFFFAOYSA-N Synonym: nortriptyline hydrochloride,pamelor,allegron,altilev,nortrilen,desmethylamitriptyline hydrochloride,acetexa,psychostyl,sensival,vividyl PubChem CID: 441358 IUPAC Name: hydrogen methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride SMILES: [H+].[Cl-].CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
| PubChem CID | 441358 |
|---|---|
| CAS | 894-71-3 |
| Molecular Weight (g/mol) | 299.84 |
| MDL Number | MFCD00058024 |
| SMILES | [H+].[Cl-].CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 |
| Synonym | nortriptyline hydrochloride,pamelor,allegron,altilev,nortrilen,desmethylamitriptyline hydrochloride,acetexa,psychostyl,sensival,vividyl |
| IUPAC Name | hydrogen methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine chloride |
| InChI Key | SHAYBENGXDALFF-UHFFFAOYSA-N |
| Molecular Formula | C19H22ClN |
Basic fuchsin hydrochloride, 99%, For HPLC analysis, MP Biomedicals™
CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
| PubChem CID | 11292 |
|---|---|
| CAS | 569-61-9 |
| Molecular Weight (g/mol) | 323.824 |
| ChEBI | CHEBI:87663 |
| SMILES | C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl |
| Synonym | basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin |
| IUPAC Name | 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride |
| InChI Key | JUQPZRLQQYSMEQ-UHFFFAOYSA-N |
| Molecular Formula | C19H18ClN3 |
p-Aminobenzoic Acid, 99+%, Free Acid, MP Biomedicals™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Ellagic acid, MP Biomedicals™
CAS: 476-66-4 Molecular Formula: C14H6O8 Molecular Weight (g/mol): 302.19 MDL Number: MFCD00006914 InChI Key: AFSDNFLWKVMVRB-UHFFFAOYSA-N Synonym: ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique PubChem CID: 5281855 ChEBI: CHEBI:4775 IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione SMILES: OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O
| PubChem CID | 5281855 |
|---|---|
| CAS | 476-66-4 |
| Molecular Weight (g/mol) | 302.19 |
| ChEBI | CHEBI:4775 |
| MDL Number | MFCD00006914 |
| SMILES | OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O |
| Synonym | ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique |
| IUPAC Name | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione |
| InChI Key | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
| Molecular Formula | C14H6O8 |