4-[4-[1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanyl-2-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanyl-2-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-hydroxy-4-[1-(3-nitrophenyl)-3-oxo-3-phenyl-propyl]sulfanyl-phenyl]-4-oxo-butanoic acid CAS Name: 4-[2-hydroxy-4-[[1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]thio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[2-hydroxy-4-[1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]sulfanylphenyl]-4-oxobutanoic acid Traditional Name: 4-[2-hydroxy-4-[[3-keto-1-(3-nitrophenyl)-3-phenyl-propyl]thio]phenyl]-4-keto-butyric acid Formula: C25H21NO7S MolecularWeight: 479.50174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC(=C(C=C3)C(=O)CCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC(=C(C=C3)C(=O)CCC(=O)O)O

InChI

InChI=1S/C25H21NO7S/c27-21(11-12-25(30)31)20-10-9-19(14-23(20)29)34-24(15-22(28)16-5-2-1-3-6-16)17-7-4-8-18(13-17)26(32)33/h1-10,13-14,24,29H,11-12,15H2,(H,30,31)