4-[(E)-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[4-oxo-3-(2-sulfoethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[4-keto-3-(2-sulfoethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C13H11NO6S3 MolecularWeight: 373.42454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO6S3/c15-11-10(7-8-1-3-9(4-2-8)12(16)17)22-13(21)14(11)5-6-23(18,19)20/h1-4,7H,5-6H2,(H,16,17)(H,18,19,20)/b10-7+