[2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-oxidanyl-ethyl] 4-butan-2-ylbenzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-oxidanyl-ethyl] 4-butan-2-ylbenzenesulfonate Openeye Name: [2-hydroxy-2-(4-methoxyphenyl)-2-(p-tolyl)ethyl] 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid [2-hydroxy-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethyl] ester IUPAC Name: [2-hydroxy-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethyl] 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid [2-hydroxy-2-(4-methoxyphenyl)-2-(p-tolyl)ethyl] ester Formula: C26H30O5S MolecularWeight: 454.5784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C26H30O5S/c1-5-20(3)21-8-16-25(17-9-21)32(28,29)31-18-26(27,22-10-6-19(2)7-11-22)23-12-14-24(30-4)15-13-23/h6-17,20,27H,5,18H2,1-4H3