4-[3-(2-carboxyphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-(2-carboxyphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[3-[(2-carboxyphenyl)thio]-2,5-dioxo-1-pyrrolidinyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[3-[(2-carboxyphenyl)thio]-2,5-diketo-pyrrolidino]-2-hydroxy-benzoic acid Formula: C18H13NO7S MolecularWeight: 387.36332

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)C(=O)O)O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)C(=O)O)O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H13NO7S/c20-12-7-9(5-6-10(12)17(23)24)19-15(21)8-14(16(19)22)27-13-4-2-1-3-11(13)18(25)26/h1-7,14,20H,8H2,(H,23,24)(H,25,26)