2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 3-methyl-2-nitro-benzoate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 3-methyl-2-nitro-benzoate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C16H13Cl2NO4S MolecularWeight: 386.24972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO4S/c1-10-3-2-4-12(15(10)19(21)22)16(20)23-7-8-24-14-9-11(17)5-6-13(14)18/h2-6,9H,7-8H2,1H3