(9-methyl-2-oxidanylidene-decyl) 2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: (9-methyl-2-oxidanylidene-decyl) 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: (9-methyl-2-oxo-decyl) 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonic acid (9-methyl-2-oxodecyl) ester IUPAC Name: (9-methyl-2-oxodecyl) 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbenzenesulfonic acid (2-keto-9-methyl-decyl) ester Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)OCC(=O)CCCCCCC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)OCC(=O)CCCCCCC(C)C)C)C

InChI

InChI=1S/C21H34O4S/c1-15(2)11-9-7-8-10-12-20(22)14-25-26(23,24)21-18(5)16(3)13-17(4)19(21)6/h13,15H,7-12,14H2,1-6H3