Organoheterocyclic compounds
Filtered Search Results
Bathocuproin, 98%
CAS: 4733-39-5 Molecular Formula: C26H20N2 Molecular Weight (g/mol): 360.46 MDL Number: MFCD00004972 InChI Key: STTGYIUESPWXOW-UHFFFAOYSA-N Synonym: bathocuproine,bathocuproin,1,10-phenanthroline, 2,9-dimethyl-4,7-diphenyl,unii-9thp2v94fx,9thp2v94fx,2,9-dimethyl-4,7-diphenylpyridino 3,2-h quinoline,pubchem19657,bathocuproin 1g,bidd:gt0563 PubChem CID: 65149 IUPAC Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline SMILES: CC1=CC(C2=CC=CC=C2)=C2C=CC3=C(C=C(C)N=C3C2=N1)C1=CC=CC=C1
| PubChem CID | 65149 |
|---|---|
| CAS | 4733-39-5 |
| Molecular Weight (g/mol) | 360.46 |
| MDL Number | MFCD00004972 |
| SMILES | CC1=CC(C2=CC=CC=C2)=C2C=CC3=C(C=C(C)N=C3C2=N1)C1=CC=CC=C1 |
| Synonym | bathocuproine,bathocuproin,1,10-phenanthroline, 2,9-dimethyl-4,7-diphenyl,unii-9thp2v94fx,9thp2v94fx,2,9-dimethyl-4,7-diphenylpyridino 3,2-h quinoline,pubchem19657,bathocuproin 1g,bidd:gt0563 |
| IUPAC Name | 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline |
| InChI Key | STTGYIUESPWXOW-UHFFFAOYSA-N |
| Molecular Formula | C26H20N2 |
Sulfamethoxazole, 98%
CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
| PubChem CID | 5329 |
|---|---|
| CAS | 723-46-6 |
| Molecular Weight (g/mol) | 253.276 |
| ChEBI | CHEBI:9332 |
| MDL Number | MFCD00010546 |
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N |
| Synonym | sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin |
| IUPAC Name | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide |
| InChI Key | JLKIGFTWXXRPMT-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O3S |
1,10-Phenanthroline-5,6-dione, 98%
CAS: 27318-90-7 Molecular Formula: C12H6N2O2 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00014473 InChI Key: KCALAFIVPCAXJI-UHFFFAOYSA-N Synonym: 1,10 phenanthroline-5,6-dione,1 10-phenanthroline-5 6-dione 97,pyridino 3,2-h quinoline-5,6-dione,phen-5,6-dione,pubchem16755,acmc-209gwd,d0jh7c,phox31,ksc204s8l,1,2-dione-based compound, 17 PubChem CID: 72810 IUPAC Name: 1,10-phenanthroline-5,6-dione SMILES: O=C1C(=O)C2=CC=CN=C2C2=NC=CC=C12
| PubChem CID | 72810 |
|---|---|
| CAS | 27318-90-7 |
| Molecular Weight (g/mol) | 210.19 |
| MDL Number | MFCD00014473 |
| SMILES | O=C1C(=O)C2=CC=CN=C2C2=NC=CC=C12 |
| Synonym | 1,10 phenanthroline-5,6-dione,1 10-phenanthroline-5 6-dione 97,pyridino 3,2-h quinoline-5,6-dione,phen-5,6-dione,pubchem16755,acmc-209gwd,d0jh7c,phox31,ksc204s8l,1,2-dione-based compound, 17 |
| IUPAC Name | 1,10-phenanthroline-5,6-dione |
| InChI Key | KCALAFIVPCAXJI-UHFFFAOYSA-N |
| Molecular Formula | C12H6N2O2 |
Tetrathiafulvalene, 97%
CAS: 31366-25-3 Molecular Formula: C6H4S4 Molecular Weight (g/mol): 204.338 MDL Number: MFCD00005492 InChI Key: FHCPAXDKURNIOZ-UHFFFAOYSA-N Synonym: tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole PubChem CID: 99451 ChEBI: CHEBI:52444 IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole SMILES: C1=CSC(=C2SC=CS2)S1
| PubChem CID | 99451 |
|---|---|
| CAS | 31366-25-3 |
| Molecular Weight (g/mol) | 204.338 |
| ChEBI | CHEBI:52444 |
| MDL Number | MFCD00005492 |
| SMILES | C1=CSC(=C2SC=CS2)S1 |
| Synonym | tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole |
| IUPAC Name | 2-(1,3-dithiol-2-ylidene)-1,3-dithiole |
| InChI Key | FHCPAXDKURNIOZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4S4 |
3-Quinuclidinol, 99%, Thermo Scientific Chemicals
CAS: 1619-34-7 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00151326 InChI Key: IVLICPVPXWEGCA-UHFFFAOYSA-N Synonym: 3-quinuclidinol,quinuclidin-3-ol,3-hydroxyquinuclidine,1-azabicyclo 2.2.2 octan-3-ol,quinuclidinol,1-aza-bicyclo 2.2.2 octan-3-ol,3-hydroxy-1-azabicyclo 2.2.2 octane,3-quinuclidinol dl-form,+--3-quinuclidinol,quinuclidine-3-ol PubChem CID: 15381 ChEBI: CHEBI:115239 IUPAC Name: 1-azabicyclo[2.2.2]octan-3-ol SMILES: C1CN2CCC1C(C2)O
| PubChem CID | 15381 |
|---|---|
| CAS | 1619-34-7 |
| Molecular Weight (g/mol) | 127.19 |
| ChEBI | CHEBI:115239 |
| MDL Number | MFCD00151326 |
| SMILES | C1CN2CCC1C(C2)O |
| Synonym | 3-quinuclidinol,quinuclidin-3-ol,3-hydroxyquinuclidine,1-azabicyclo 2.2.2 octan-3-ol,quinuclidinol,1-aza-bicyclo 2.2.2 octan-3-ol,3-hydroxy-1-azabicyclo 2.2.2 octane,3-quinuclidinol dl-form,+--3-quinuclidinol,quinuclidine-3-ol |
| IUPAC Name | 1-azabicyclo[2.2.2]octan-3-ol |
| InChI Key | IVLICPVPXWEGCA-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
Thermo Scientific Chemicals Cinchonine, 98+%
CAS: 118-10-5 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00064372 InChI Key: KMPWYEUPVWOPIM-FRYPIZGFNA-N Synonym: +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol PubChem CID: 21862290 IUPAC Name: [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol SMILES: [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C
| PubChem CID | 21862290 |
|---|---|
| CAS | 118-10-5 |
| Molecular Weight (g/mol) | 294.40 |
| MDL Number | MFCD00064372 |
| SMILES | [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C |
| Synonym | +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol |
| IUPAC Name | [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| InChI Key | KMPWYEUPVWOPIM-FRYPIZGFNA-N |
| Molecular Formula | C19H22N2O |
Nicotine ditartrate dihydrate, 98%
CAS: 6-3-6019 Molecular Weight (g/mol): 498.44 MDL Number: MFCD00150899 InChI Key: LDMPZNTVIGIREC-HYRPJEHINA-N Synonym: (-)-Nicotine di-(+)-hydrogen tartrate dihydrate IUPAC Name: N-{3-[(2Z)-5-chloro-2,3-dihydro-1,3-benzoxazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl}-2-methylpropanamide SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1
| CAS | 6-3-6019 |
|---|---|
| Molecular Weight (g/mol) | 498.44 |
| MDL Number | MFCD00150899 |
| SMILES | O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1 |
| Synonym | (-)-Nicotine di-(+)-hydrogen tartrate dihydrate |
| IUPAC Name | N-{3-[(2Z)-5-chloro-2,3-dihydro-1,3-benzoxazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl}-2-methylpropanamide |
| InChI Key | LDMPZNTVIGIREC-HYRPJEHINA-N |
3-Indoleacetic Acid 98.0+%, TCI America™
CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12
| PubChem CID | 802 |
|---|---|
| CAS | 87-51-4 |
| Molecular Weight (g/mol) | 175.19 |
| ChEBI | CHEBI:16411 |
| MDL Number | MFCD00005636 |
| SMILES | OC(=O)CC1=CNC2=CC=CC=C12 |
| Synonym | indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a |
| IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
| InChI Key | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Gibberellic acid, 99%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
Hemin Chloride, MP Biomedicals™
CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
| PubChem CID | 131675604 |
|---|---|
| CAS | 16009-13-5 |
| Molecular Weight (g/mol) | 651.95 |
| MDL Number | MFCD00010726 |
| SMILES | CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C |
| Synonym | chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin |
| IUPAC Name | 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid |
| InChI Key | BTIJJDXEELBZFS-HXFTUNQESA-K |
| Molecular Formula | C34H32ClFeN4O4 |
1,1'-(Azodicarbonyl)dipiperidine, 97%
CAS: 10465-81-3 Molecular Formula: C12H20N4O2 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00010111 InChI Key: OQJBFFCUFALWQL-UHFFFAOYSA-N Synonym: 1,1'-azodicarbonyl-dipiperidine,1,1-azodicarbonyl dipiperidine,1,1'-azodicarbonyl dipiperidine,addp,diazene-1,2-diylbis piperidin-1-ylmethanone,azodicarboxylic acid dipiperidine,ne-n-piperidine-1-carbonylimino piperidine-1-carboxamide,1,1'-azodicarbonyl dipiperidine addp,piperidyl piperidylcarbonyl diazenyl ketone,e-diazene-1,2-diylbis piperidin-1-ylmethanone PubChem CID: 5702657 IUPAC Name: (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide SMILES: O=C(N=NC(=O)N1CCCCC1)N1CCCCC1
| PubChem CID | 5702657 |
|---|---|
| CAS | 10465-81-3 |
| Molecular Weight (g/mol) | 252.32 |
| MDL Number | MFCD00010111 |
| SMILES | O=C(N=NC(=O)N1CCCCC1)N1CCCCC1 |
| Synonym | 1,1'-azodicarbonyl-dipiperidine,1,1-azodicarbonyl dipiperidine,1,1'-azodicarbonyl dipiperidine,addp,diazene-1,2-diylbis piperidin-1-ylmethanone,azodicarboxylic acid dipiperidine,ne-n-piperidine-1-carbonylimino piperidine-1-carboxamide,1,1'-azodicarbonyl dipiperidine addp,piperidyl piperidylcarbonyl diazenyl ketone,e-diazene-1,2-diylbis piperidin-1-ylmethanone |
| IUPAC Name | (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide |
| InChI Key | OQJBFFCUFALWQL-UHFFFAOYSA-N |
| Molecular Formula | C12H20N4O2 |
3-Hydroxy-6-methylpyridine, 99%
CAS: 1121-78-4 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006339 InChI Key: DHLUJPLHLZJUBW-UHFFFAOYSA-N Synonym: 5-hydroxy-2-methylpyridine,2-methyl-5-hydroxypyridine,3-hydroxy-6-methylpyridine,6-methyl-3-pyridinol,3-pyridinol, 6-methyl,6-methyl-3-hydroxypyridine,5-hydroxy-2-picoline,unii-uke16jp1jr,2-methyl-5-pyridinol,uke16jp1jr PubChem CID: 14275 IUPAC Name: 6-methylpyridin-3-ol SMILES: CC1=NC=C(C=C1)O
| PubChem CID | 14275 |
|---|---|
| CAS | 1121-78-4 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006339 |
| SMILES | CC1=NC=C(C=C1)O |
| Synonym | 5-hydroxy-2-methylpyridine,2-methyl-5-hydroxypyridine,3-hydroxy-6-methylpyridine,6-methyl-3-pyridinol,3-pyridinol, 6-methyl,6-methyl-3-hydroxypyridine,5-hydroxy-2-picoline,unii-uke16jp1jr,2-methyl-5-pyridinol,uke16jp1jr |
| IUPAC Name | 6-methylpyridin-3-ol |
| InChI Key | DHLUJPLHLZJUBW-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
Phthalic anhydride, ACS, 99.0-100.2%
CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 IUPAC Name: 2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=CC=CC=C12
| PubChem CID | 6811 |
|---|---|
| CAS | 85-44-9 |
| Molecular Weight (g/mol) | 148.12 |
| ChEBI | CHEBI:36605 |
| MDL Number | MFCD00005918 |
| SMILES | O=C1OC(=O)C2=CC=CC=C12 |
| Synonym | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
| IUPAC Name | 2-benzofuran-1,3-dione |
| InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
| Molecular Formula | C8H4O3 |
Tazobactam, 94%
CAS: 89786-04-9 Molecular Formula: C10H12N4O5S Molecular Weight (g/mol): 300.29 MDL Number: MFCD00917472 MFCD00867002 InChI Key: LPQZKKCYTLCDGQ-WEDXCCLWSA-N Synonym: tazobactam,tazobactam acid,tazobactamum,zosyn,unii-se10g96m8w,ytr-830h,ytr 830h,chembl404,ytr830h,2s,3s,5r-3-methyl-7-oxo-3-1h-1,2,3-triazol-1-ylmethyl-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide PubChem CID: 123630 ChEBI: CHEBI:9421 IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4λ⁶-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: C[C@]1(CN2C=CN=N2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
| PubChem CID | 123630 |
|---|---|
| CAS | 89786-04-9 |
| Molecular Weight (g/mol) | 300.29 |
| ChEBI | CHEBI:9421 |
| MDL Number | MFCD00917472 MFCD00867002 |
| SMILES | C[C@]1(CN2C=CN=N2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |
| Synonym | tazobactam,tazobactam acid,tazobactamum,zosyn,unii-se10g96m8w,ytr-830h,ytr 830h,chembl404,ytr830h,2s,3s,5r-3-methyl-7-oxo-3-1h-1,2,3-triazol-1-ylmethyl-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide |
| IUPAC Name | (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4λ⁶-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChI Key | LPQZKKCYTLCDGQ-WEDXCCLWSA-N |
| Molecular Formula | C10H12N4O5S |
Thermo Scientific Chemicals Sulfobromophthalein sodium salt hydrate
CAS: 71-67-0 Molecular Formula: C20H8Br4Na2O10S2 Molecular Weight (g/mol): 837.99 MDL Number: MFCD00150017 InChI Key: GHAFORRTMVIXHS-UHFFFAOYSA-L Synonym: bromosulfophthalein,sulfobromophthalein,3h bsp,3h-bsp,d00ady PubChem CID: 102371197 ChEBI: CHEBI:63827 IUPAC Name: disodium;2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]phenolate SMILES: [Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O
| PubChem CID | 102371197 |
|---|---|
| CAS | 71-67-0 |
| Molecular Weight (g/mol) | 837.99 |
| ChEBI | CHEBI:63827 |
| MDL Number | MFCD00150017 |
| SMILES | [Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O |
| Synonym | bromosulfophthalein,sulfobromophthalein,3h bsp,3h-bsp,d00ady |
| IUPAC Name | disodium;2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]phenolate |
| InChI Key | GHAFORRTMVIXHS-UHFFFAOYSA-L |
| Molecular Formula | C20H8Br4Na2O10S2 |