(3-methyl-2-oxidanylidene-octyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-2-oxidanylidene-octyl) 4-methylbenzenesulfonate Openeye Name: (3-methyl-2-oxo-octyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-2-oxooctyl) ester IUPAC Name: (3-methyl-2-oxooctyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3-methyl-octyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCC(C)C(=O)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H24O4S/c1-4-5-6-7-14(3)16(17)12-20-21(18,19)15-10-8-13(2)9-11-15/h8-11,14H,4-7,12H2,1-3H3