4-[(E)-[4-oxidanylidene-3-(6-oxidanyl-6-oxidanylidene-hexyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[4-oxidanylidene-3-(6-oxidanyl-6-oxidanylidene-hexyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[3-(6-hydroxy-6-oxo-hexyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[3-(6-hydroxy-6-oxohexyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[3-(6-hydroxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[3-(6-hydroxy-6-keto-hexyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S2/c19-14(20)4-2-1-3-9-18-15(21)13(25-17(18)24)10-11-5-7-12(8-6-11)16(22)23/h5-8,10H,1-4,9H2,(H,19,20)(H,22,23)/b13-10+