[(2S)-2,5-bis(oxidanyl)-5,5-diphenyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2,5-bis(oxidanyl)-5,5-diphenyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2,5-dihydroxy-5,5-diphenyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2,5-dihydroxy-5,5-diphenylpentyl] ester IUPAC Name: [(2S)-2,5-dihydroxy-5,5-diphenylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2,5-dihydroxy-5,5-diphenyl-pentyl] ester Formula: C24H26O5S MolecularWeight: 426.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

InChI

InChI=1S/C24H26O5S/c1-19-12-14-23(15-13-19)30(27,28)29-18-22(25)16-17-24(26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,25-26H,16-18H2,1H3/t22-/m0/s1