4-oxidanylidenetridecan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 4-oxidanylidenetridecan-3-yl 4-methylbenzenesulfonate Openeye Name: (1-ethyl-2-oxo-undecyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-oxotridecan-3-yl ester IUPAC Name: 4-oxotridecan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ethyl-2-keto-undecyl) ester Formula: C20H32O4S MolecularWeight: 368.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C(CC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCC(=O)C(CC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H32O4S/c1-4-6-7-8-9-10-11-12-19(21)20(5-2)24-25(22,23)18-15-13-17(3)14-16-18/h13-16,20H,4-12H2,1-3H3