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

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-4-nitro-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=C(C=CC(=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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