13-methyltetradecyl 2-methylbenzenesulfonate

Systemtic Name: 13-methyltetradecyl 2-methylbenzenesulfonate Openeye Name: 13-methyltetradecyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid 13-methyltetradecyl ester IUPAC Name: 13-methyltetradecyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 13-methyltetradecyl ester Formula: C22H38O3S MolecularWeight: 382.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C22H38O3S/c1-20(2)16-12-10-8-6-4-5-7-9-11-15-19-25-26(23,24)22-18-14-13-17-21(22)3/h13-14,17-18,20H,4-12,15-16,19H2,1-3H3