4-methyldodecyl 4-methylbenzenesulfonate

Systemtic Name: 4-methyldodecyl 4-methylbenzenesulfonate Openeye Name: 4-methyldodecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-methyldodecyl ester IUPAC Name: 4-methyldodecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-methyldodecyl ester Formula: C20H34O3S MolecularWeight: 354.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCC(C)CCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H34O3S/c1-4-5-6-7-8-9-11-18(2)12-10-17-23-24(21,22)20-15-13-19(3)14-16-20/h13-16,18H,4-12,17H2,1-3H3