2-[3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[1-(4-nitrophenyl)-3-oxo-3-(p-tolyl)propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)-1-(4-nitrophenyl)-3-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-keto-1-(4-nitrophenyl)-3-(p-tolyl)propyl]thio]acetic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C18H17NO5S/c1-12-2-4-13(5-3-12)16(20)10-17(25-11-18(21)22)14-6-8-15(9-7-14)19(23)24/h2-9,17H,10-11H2,1H3,(H,21,22)