2-(4-cyclohexyl-2-oxidanylidene-butyl)benzenesulfonic acid

Systemtic Name: 2-(4-cyclohexyl-2-oxidanylidene-butyl)benzenesulfonic acid Openeye Name: 2-(4-cyclohexyl-2-oxo-butyl)benzenesulfonic acid CAS Name: 2-(4-cyclohexyl-2-oxobutyl)benzenesulfonic acid IUPAC Name: 2-(4-cyclohexyl-2-oxobutyl)benzenesulfonic acid Traditional Name: 2-(4-cyclohexyl-2-keto-butyl)besylic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)CCC(=O)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C16H22O4S/c17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)21(18,19)20/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,19,20)