4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-(2-thienylmethylsulfanyl)-4,5-dihydro-1H-imidazole CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 2-(thiophen-2-ylmethylthio)-4,5-dihydro-1H-imidazole IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 2-(2-thenylthio)-2-imidazoline Formula: C31H26N2O6S2 MolecularWeight: 586.67794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)SCC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C8H10N2S2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-2-7(11-5-1)6-12-8-9-3-4-10-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-2,5H,3-4,6H2,(H,9,10)