[4-(4-butan-2-yloxyphenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-butan-2-yloxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-sec-butoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-butan-2-yloxyphenyl)cyclohexyl] ester IUPAC Name: [4-(4-butan-2-yloxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-sec-butoxyphenyl)cyclohexyl] ester Formula: C23H30O4S MolecularWeight: 402.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C2CCC(CC2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C2CCC(CC2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30O4S/c1-4-18(3)26-21-11-7-19(8-12-21)20-9-13-22(14-10-20)27-28(24,25)23-15-5-17(2)6-16-23/h5-8,11-12,15-16,18,20,22H,4,9-10,13-14H2,1-3H3