[4-[2,6-dimethyl-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2,6-dimethyl-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-hydroxy-phenyl)-2,6-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,6-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,6-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-hydroxy-phenyl)-2,6-dimethyl-phenyl]phenyl] ester Formula: C28H26O5S MolecularWeight: 474.56804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26O5S/c1-19-15-24(16-20(2)28(19)22-9-12-25(13-10-22)33-34(3,30)31)23-11-14-27(26(29)17-23)32-18-21-7-5-4-6-8-21/h4-17,29H,18H2,1-3H3