docosyl 4-methylbenzenesulfonate

Systemtic Name: docosyl 4-methylbenzenesulfonate Openeye Name: docosyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid docosyl ester IUPAC Name: docosyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid behenyl ester Formula: C29H52O3S MolecularWeight: 480.78638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C29H52O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-33(30,31)29-25-23-28(2)24-26-29/h23-26H,3-22,27H2,1-2H3