[4-[3,5-dimethoxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[3,5-dimethoxy-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-hydroxy-phenyl)-3,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-3,5-dimethoxyphenyl]phenyl] ester IUPAC Name: [4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-3,5-dimethoxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-hydroxy-phenyl)-3,5-dimethoxy-phenyl]phenyl] ester Formula: C28H26O7S MolecularWeight: 506.56684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)C4=CC=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)O)OC)C4=CC=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C28H26O7S/c1-32-26-16-22(20-9-12-23(13-10-20)35-36(3,30)31)17-27(33-2)28(26)21-11-14-25(24(29)15-21)34-18-19-7-5-4-6-8-19/h4-17,29H,18H2,1-3H3