16-methylheptadecyl 1-(2-methylphenyl)ethanesulfonate

Systemtic Name: 16-methylheptadecyl 1-(2-methylphenyl)ethanesulfonate Openeye Name: 16-methylheptadecyl 1-(o-tolyl)ethanesulfonate CAS Name: 1-(2-methylphenyl)ethanesulfonic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl 1-(2-methylphenyl)ethanesulfonate Traditional Name: 1-(o-tolyl)ethanesulfonic acid 16-methylheptadecyl ester Formula: C27H48O3S MolecularWeight: 452.73322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O3S/c1-24(2)20-16-14-12-10-8-6-5-7-9-11-13-15-19-23-30-31(28,29)26(4)27-22-18-17-21-25(27)3/h17-18,21-22,24,26H,5-16,19-20,23H2,1-4H3