[1-(4-methylphenyl)-1-oxidanylidene-dodecan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-dodecan-2-yl] 4-methylbenzenesulfonate Openeye Name: 1-(4-methylbenzoyl)undecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-methylphenyl)-1-oxododecan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxododecan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-p-toluoylundecyl ester Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H36O4S/c1-4-5-6-7-8-9-10-11-12-25(26(27)23-17-13-21(2)14-18-23)30-31(28,29)24-19-15-22(3)16-20-24/h13-20,25H,4-12H2,1-3H3