(3-butyl-2-oxidanylidene-heptyl) 4-methylbenzenesulfonate

Systemtic Name: (3-butyl-2-oxidanylidene-heptyl) 4-methylbenzenesulfonate Openeye Name: (3-butyl-2-oxo-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-butyl-2-oxoheptyl) ester IUPAC Name: (3-butyl-2-oxoheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-butyl-2-keto-heptyl) ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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