2-[4-(3-methoxy-3-oxidanylidene-propyl)-2-nitro-phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(3-methoxy-3-oxidanylidene-propyl)-2-nitro-phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-(3-methoxy-3-oxo-propyl)-2-nitro-phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-(3-methoxy-3-oxopropyl)-2-nitrophenyl]thio]benzoic acid IUPAC Name: 2-[4-(3-methoxy-3-oxopropyl)-2-nitrophenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(3-keto-3-methoxy-propyl)-2-nitro-phenyl]thio]benzoic acid Formula: C17H15NO6S MolecularWeight: 361.3691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6S/c1-24-16(19)9-7-11-6-8-15(13(10-11)18(22)23)25-14-5-3-2-4-12(14)17(20)21/h2-6,8,10H,7,9H2,1H3,(H,20,21)