[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxy-phenyl]-2,5-dimethyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxy-phenyl]-2,5-dimethyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-benzyloxy-3-(1-hydroxyethyl)phenyl]-2,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-benzoxy-3-(1-hydroxyethyl)phenyl]-2,5-dimethyl-phenyl]phenyl] ester Formula: C30H30O5S MolecularWeight: 502.6212

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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)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)O

InChI

InChI=1S/C30H30O5S/c1-20-17-28(21(2)16-27(20)24-10-13-26(14-11-24)35-36(4,32)33)25-12-15-30(29(18-25)22(3)31)34-19-23-8-6-5-7-9-23/h5-18,22,31H,19H2,1-4H3