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

Systemtic Name: (9-methyl-2-oxidanylidene-decyl) 2-methylbenzenesulfonate Openeye Name: (9-methyl-2-oxo-decyl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (9-methyl-2-oxodecyl) ester IUPAC Name: (9-methyl-2-oxodecyl) 2-methylbenzenesulfonate Traditional Name: 2-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=CC=C1S(=O)(=O)OCC(=O)CCCCCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCC(=O)CCCCCCC(C)C

InChI

InChI=1S/C18H28O4S/c1-15(2)10-6-4-5-7-12-17(19)14-22-23(20,21)18-13-9-8-11-16(18)3/h8-9,11,13,15H,4-7,10,12,14H2,1-3H3