6-oxidanylideneundecan-5-yl 4-methylbenzenesulfonate

Systemtic Name: 6-oxidanylideneundecan-5-yl 4-methylbenzenesulfonate Openeye Name: (1-butyl-2-oxo-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-oxoundecan-5-yl ester IUPAC Name: 6-oxoundecan-5-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-butyl-2-keto-heptyl) ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCC(=O)C(CCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H28O4S/c1-4-6-8-9-17(19)18(10-7-5-2)22-23(20,21)16-13-11-15(3)12-14-16/h11-14,18H,4-10H2,1-3H3