[4-[2,3-dimethoxy-5-oxidanyl-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2,3-dimethoxy-5-oxidanyl-4-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-hydroxy-phenyl)-5-hydroxy-2,3-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[5-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,3-dimethoxyphenyl]phenyl] ester IUPAC Name: [4-[5-hydroxy-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,3-dimethoxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-hydroxy-phenyl)-5-hydroxy-2,3-dimethoxy-phenyl]phenyl] ester Formula: C28H26O8S MolecularWeight: 522.56624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O)OC

InChI

InChI=1S/C28H26O8S/c1-33-27-22(19-9-12-21(13-10-19)36-37(3,31)32)16-24(30)26(28(27)34-2)20-11-14-25(23(29)15-20)35-17-18-7-5-4-6-8-18/h4-16,29-30H,17H2,1-3H3