2-(4-chlorophenyl)sulfanylethyl 3-methyl-2-nitro-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-2-nitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO4S/c1-11-3-2-4-14(15(11)18(20)21)16(19)22-9-10-23-13-7-5-12(17)6-8-13/h2-8H,9-10H2,1H3