2,2-dimethyl-6-[4-(phenylsulfonyl)butyl]cyclohexan-1-one

Systemtic Name: 2,2-dimethyl-6-[4-(phenylsulfonyl)butyl]cyclohexan-1-one Openeye Name: 6-[4-(benzenesulfonyl)butyl]-2,2-dimethyl-cyclohexanone CAS Name: 6-[4-(benzenesulfonyl)butyl]-2,2-dimethyl-1-cyclohexanone IUPAC Name: 6-[4-(benzenesulfonyl)butyl]-2,2-dimethylcyclohexan-1-one Traditional Name: 6-(4-besylbutyl)-2,2-dimethyl-cyclohexanone Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1=O)CCCCS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CCCC(C1=O)CCCCS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H26O3S/c1-18(2)13-8-10-15(17(18)19)9-6-7-14-22(20,21)16-11-4-3-5-12-16/h3-5,11-12,15H,6-10,13-14H2,1-2H3