ethyl 2-(4-methylphenyl)sulfonyl-8-methylsulfanyl-octanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-8-methylsulfanyl-octanoate Openeye Name: ethyl 8-methylsulfanyl-2-(p-tolylsulfonyl)octanoate CAS Name: 2-(4-methylphenyl)sulfonyl-8-(methylthio)octanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-8-methylsulfanyloctanoate Traditional Name: 8-(methylthio)-2-tosyl-caprylic acid ethyl ester Formula: C18H28O4S2 MolecularWeight: 372.54252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCSC)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(CCCCCCSC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H28O4S2/c1-4-22-18(19)17(9-7-5-6-8-14-23-3)24(20,21)16-12-10-15(2)11-13-16/h10-13,17H,4-9,14H2,1-3H3