7-methyloctyl 1-(2-methylphenyl)ethanesulfonate

Systemtic Name: 7-methyloctyl 1-(2-methylphenyl)ethanesulfonate Openeye Name: 7-methyloctyl 1-(o-tolyl)ethanesulfonate CAS Name: 1-(2-methylphenyl)ethanesulfonic acid 7-methyloctyl ester IUPAC Name: 7-methyloctyl 1-(2-methylphenyl)ethanesulfonate Traditional Name: 1-(o-tolyl)ethanesulfonic acid 7-methyloctyl ester Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)S(=O)(=O)OCCCCCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(C)S(=O)(=O)OCCCCCCC(C)C

InChI

InChI=1S/C18H30O3S/c1-15(2)11-7-5-6-10-14-21-22(19,20)17(4)18-13-9-8-12-16(18)3/h8-9,12-13,15,17H,5-7,10-11,14H2,1-4H3