10-methyltridecyl 4-methylbenzenesulfonate

Systemtic Name: 10-methyltridecyl 4-methylbenzenesulfonate Openeye Name: 10-methyltridecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 10-methyltridecyl ester IUPAC Name: 10-methyltridecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 10-methyltridecyl ester Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C)CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H36O3S/c1-4-12-19(2)13-10-8-6-5-7-9-11-18-24-25(22,23)21-16-14-20(3)15-17-21/h14-17,19H,4-13,18H2,1-3H3