6,6-dimethyl-5-oxidanylidene-7-(phenylsulfonyl)heptanal

Systemtic Name: 6,6-dimethyl-5-oxidanylidene-7-(phenylsulfonyl)heptanal Openeye Name: 7-(benzenesulfonyl)-6,6-dimethyl-5-oxo-heptanal CAS Name: 7-(benzenesulfonyl)-6,6-dimethyl-5-oxoheptanal IUPAC Name: 7-(benzenesulfonyl)-6,6-dimethyl-5-oxoheptanal Traditional Name: 7-besyl-5-keto-6,6-dimethyl-enanthaldehyde Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C1=CC=CC=C1)C(=O)CCCC=O

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=CC=CC=C1)C(=O)CCCC=O

InChI

InChI=1S/C15H20O4S/c1-15(2,14(17)10-6-7-11-16)12-20(18,19)13-8-4-3-5-9-13/h3-5,8-9,11H,6-7,10,12H2,1-2H3