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

Systemtic Name: 2-[4-(2-methoxy-2-oxidanylidene-ethyl)-2-nitro-phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-(2-methoxy-2-oxo-ethyl)-2-nitro-phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-(2-methoxy-2-oxoethyl)-2-nitrophenyl]thio]benzoic acid IUPAC Name: 2-[4-(2-methoxy-2-oxoethyl)-2-nitrophenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(2-keto-2-methoxy-ethyl)-2-nitro-phenyl]thio]benzoic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6S/c1-23-15(18)9-10-6-7-14(12(8-10)17(21)22)24-13-5-3-2-4-11(13)16(19)20/h2-8H,9H2,1H3,(H,19,20)