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

Systemtic Name: 4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonic acid Openeye Name: 4-methyl-3-[3-[1-(1-methylbutyl)cyclohexyl]propyl]benzenesulfonic acid CAS Name: 4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonic acid IUPAC Name: 4-methyl-3-[3-(1-pentan-2-ylcyclohexyl)propyl]benzenesulfonic acid Traditional Name: 4-methyl-3-[3-[1-(1-methylbutyl)cyclohexyl]propyl]besylic acid Formula: C21H34O3S MolecularWeight: 366.55786

Click to see the large picture

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)