2-[4-(carboxycarbonylamino)-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(carboxycarbonylamino)-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]sulfanylbenzoic acid Openeye Name: 2-[4-(oxaloamino)-5-oxo-cyclohepta-1,3,6-trien-1-yl]sulfanylbenzoic acid CAS Name: 2-[[4-(oxaloamino)-5-oxo-1-cyclohepta-1,3,6-trienyl]thio]benzoic acid IUPAC Name: 2-[4-(oxaloamino)-5-oxocyclohepta-1,3,6-trien-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[5-keto-4-(oxaloamino)cyclohepta-1,3,6-trien-1-yl]thio]benzoic acid Formula: C16H11NO6S MolecularWeight: 345.32664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C(=O)C=C2)NC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C(=O)C=C2)NC(=O)C(=O)O

InChI

InChI=1S/C16H11NO6S/c18-12-8-6-9(5-7-11(12)17-14(19)16(22)23)24-13-4-2-1-3-10(13)15(20)21/h1-8H,(H,20,21)(H,22,23)(H,17,18,19)