4-[3,5-bis(oxidanylidene)-1,2-diphenyl-4-sulfo-pyrazolidin-4-yl]butanoic acid

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-4-sulfo-pyrazolidin-4-yl]butanoic acid Openeye Name: 4-(3,5-dioxo-1,2-diphenyl-4-sulfo-pyrazolidin-4-yl)butanoic acid CAS Name: 4-(3,5-dioxo-1,2-diphenyl-4-sulfo-4-pyrazolidinyl)butanoic acid IUPAC Name: 4-(3,5-dioxo-1,2-diphenyl-4-sulfopyrazolidin-4-yl)butanoic acid Traditional Name: 4-(3,5-diketo-1,2-diphenyl-4-sulfo-pyrazolidin-4-yl)butyric acid Formula: C19H18N2O7S MolecularWeight: 418.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)(CCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)(CCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H18N2O7S/c22-16(23)12-7-13-19(29(26,27)28)17(24)20(14-8-3-1-4-9-14)21(18(19)25)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,22,23)(H,26,27,28)