(3-ethyl-2-oxidanylidene-heptyl) 2-methylbenzenesulfonate

Systemtic Name: (3-ethyl-2-oxidanylidene-heptyl) 2-methylbenzenesulfonate Openeye Name: (3-ethyl-2-oxo-heptyl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (3-ethyl-2-oxoheptyl) ester IUPAC Name: (3-ethyl-2-oxoheptyl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (3-ethyl-2-keto-heptyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)COS(=O)(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCC(CC)C(=O)COS(=O)(=O)C1=CC=CC=C1C

InChI

InChI=1S/C16H24O4S/c1-4-6-10-14(5-2)15(17)12-20-21(18,19)16-11-8-7-9-13(16)3/h7-9,11,14H,4-6,10,12H2,1-3H3