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

Systemtic Name: 4-[2-methoxy-4-[1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-methoxy-4-[1-(3-nitrophenyl)-3-oxo-3-phenyl-propyl]sulfanyl-phenyl]-4-oxo-butanoic acid CAS Name: 4-[2-methoxy-4-[[1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]thio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[2-methoxy-4-[1-(3-nitrophenyl)-3-oxo-3-phenylpropyl]sulfanylphenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[[3-keto-1-(3-nitrophenyl)-3-phenyl-propyl]thio]-2-methoxy-phenyl]butyric acid Formula: C26H23NO7S MolecularWeight: 493.52832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC(CC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)SC(CC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O

InChI

InChI=1S/C26H23NO7S/c1-34-24-15-20(10-11-21(24)22(28)12-13-26(30)31)35-25(16-23(29)17-6-3-2-4-7-17)18-8-5-9-19(14-18)27(32)33/h2-11,14-15,25H,12-13,16H2,1H3,(H,30,31)