5-[3-(2-carboxyphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(2-carboxyphenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(2-carboxyphenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(2-carboxyphenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(2-carboxyphenyl)thio]-2,5-diketo-pyrrolidino]isophthalic acid Formula: C19H13NO8S MolecularWeight: 415.37342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13NO8S/c21-15-8-14(29-13-4-2-1-3-12(13)19(27)28)16(22)20(15)11-6-9(17(23)24)5-10(7-11)18(25)26/h1-7,14H,8H2,(H,23,24)(H,25,26)(H,27,28)