propan-2-yl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: propan-2-yl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: isopropyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid isopropyl ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO4S/c1-10(2)22-16(19)14-9-12(18(20)21)5-8-15(14)23-13-6-3-11(17)4-7-13/h3-10H,1-2H3