4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonate

Systemtic Name: 4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonate Openeye Name: 4-methyl-3-[3-[1-(1-methylbutyl)cyclohexyl]propyl]benzenesulfonate CAS Name: 4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonate IUPAC Name: 4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonate Traditional Name: 4-methyl-3-[3-[1-(1-methylbutyl)cyclohexyl]propyl]besylate Formula: C21H33O3S- MolecularWeight: 365.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(CCCCC1)CCCC2=C(C=CC(=C2)S(=O)(=O)[O-])C

Isomeric SMILES

CCCC(C)C1(CCCCC1)CCCC2=C(C=CC(=C2)S(=O)(=O)[O-])C

InChI

InChI=1S/C21H34O3S/c1-4-9-18(3)21(13-6-5-7-14-21)15-8-10-19-16-20(25(22,23)24)12-11-17(19)2/h11-12,16,18H,4-10,13-15H2,1-3H3,(H,22,23,24)/p-1