(9-methyl-2-oxidanylidene-decyl) 4-methylbenzenesulfonate

Systemtic Name: (9-methyl-2-oxidanylidene-decyl) 4-methylbenzenesulfonate Openeye Name: (9-methyl-2-oxo-decyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-methyl-2-oxodecyl) ester IUPAC Name: (9-methyl-2-oxodecyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-9-methyl-decyl) ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCCCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCCCCCC(C)C

InChI

InChI=1S/C18H28O4S/c1-15(2)8-6-4-5-7-9-17(19)14-22-23(20,21)18-12-10-16(3)11-13-18/h10-13,15H,4-9,14H2,1-3H3