(3-butyl-2-oxidanylidene-heptyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (3-butyl-2-oxidanylidene-heptyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (3-butyl-2-oxo-heptyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (3-butyl-2-oxoheptyl) ester IUPAC Name: (3-butyl-2-oxoheptyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (3-butyl-2-keto-heptyl) ester Formula: C20H32O4S MolecularWeight: 368.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O4S/c1-6-8-10-18(11-9-7-2)19(21)14-24-25(22,23)20-16(4)12-15(3)13-17(20)5/h12-13,18H,6-11,14H2,1-5H3