propan-2-yl 3-nitro-2-(phenylsulfanylmethoxy)benzoate

Systemtic Name: propan-2-yl 3-nitro-2-(phenylsulfanylmethoxy)benzoate Openeye Name: isopropyl 3-nitro-2-(phenylsulfanylmethoxy)benzoate CAS Name: 3-nitro-2-[(phenylthio)methoxy]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-nitro-2-(phenylsulfanylmethoxy)benzoate Traditional Name: 3-nitro-2-[(phenylthio)methoxy]benzoic acid isopropyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OCSC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])OCSC2=CC=CC=C2

InChI

InChI=1S/C17H17NO5S/c1-12(2)23-17(19)14-9-6-10-15(18(20)21)16(14)22-11-24-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3