6,6-diphenylhexan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 6,6-diphenylhexan-3-yl 4-methylbenzenesulfonate Openeye Name: (1-ethyl-4,4-diphenyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6,6-diphenylhexan-3-yl ester IUPAC Name: 6,6-diphenylhexan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ethyl-4,4-diphenyl-butyl) ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C1=CC=CC=C1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(CCC(C1=CC=CC=C1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28O3S/c1-3-23(28-29(26,27)24-17-14-20(2)15-18-24)16-19-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,17-18,23,25H,3,16,19H2,1-2H3