[4-[2,5-dimethyl-4-[3-(2-oxidanylpropan-2-yl)-4-phenylmethoxy-phenyl]phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2,5-dimethyl-4-[3-(2-oxidanylpropan-2-yl)-4-phenylmethoxy-phenyl]phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-benzyloxy-3-(1-hydroxy-1-methyl-ethyl)phenyl]-2,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-benzoxy-3-(1-hydroxy-1-methyl-ethyl)phenyl]-2,5-dimethyl-phenyl]phenyl] ester Formula: C31H32O5S MolecularWeight: 516.64778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)(C)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)(C)O

InChI

InChI=1S/C31H32O5S/c1-21-18-28(22(2)17-27(21)24-11-14-26(15-12-24)36-37(5,33)34)25-13-16-30(29(19-25)31(3,4)32)35-20-23-9-7-6-8-10-23/h6-19,32H,20H2,1-5H3