2-(4-methylphenyl)sulfanylethyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: 2-(4-methylphenyl)sulfanylethyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: 2-(p-tolylsulfanyl)ethyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid 2-[(4-methylphenyl)thio]ethyl ester IUPAC Name: 2-(4-methylphenyl)sulfanylethyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid 2-(p-tolylthio)ethyl ester Formula: C17H17ClO4S2 MolecularWeight: 384.89748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H17ClO4S2/c1-12-3-5-13(6-4-12)23-10-9-22-17(19)15-11-14(24(2,20)21)7-8-16(15)18/h3-8,11H,9-10H2,1-2H3