ethyl 2-[6,6-dimethyl-2-[4-(phenylsulfonyl)butyl]cyclohexen-1-yl]ethanoate

Systemtic Name: ethyl 2-[6,6-dimethyl-2-[4-(phenylsulfonyl)butyl]cyclohexen-1-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(benzenesulfonyl)butyl]-6,6-dimethyl-cyclohexen-1-yl]acetate CAS Name: 2-[2-[4-(benzenesulfonyl)butyl]-6,6-dimethyl-1-cyclohexenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(benzenesulfonyl)butyl]-6,6-dimethylcyclohexen-1-yl]acetate Traditional Name: 2-[2-(4-besylbutyl)-6,6-dimethyl-cyclohexen-1-yl]acetic acid ethyl ester Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(CCCC1(C)C)CCCCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=C(CCCC1(C)C)CCCCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H32O4S/c1-4-26-21(23)17-20-18(12-10-15-22(20,2)3)11-8-9-16-27(24,25)19-13-6-5-7-14-19/h5-7,13-14H,4,8-12,15-17H2,1-3H3