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

Systemtic Name: (3-ethyl-2-oxidanylidene-heptyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (3-ethyl-2-oxo-heptyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (3-ethyl-2-oxoheptyl) ester IUPAC Name: (3-ethyl-2-oxoheptyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (3-ethyl-2-keto-heptyl) ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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