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

Systemtic Name: [4-[2,5-dimethoxy-4-(3-methyl-4-phenylmethoxy-phenyl)-3-oxidanyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methyl-phenyl)-3-hydroxy-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-hydroxy-2,5-dimethoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[3-hydroxy-2,5-dimethoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methyl-phenyl)-3-hydroxy-2,5-dimethoxy-phenyl]phenyl] ester Formula: C29H28O7S MolecularWeight: 520.59342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)OS(=O)(=O)C)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28O7S/c1-19-16-22(12-15-25(19)35-18-20-8-6-5-7-9-20)27-26(33-2)17-24(29(34-3)28(27)30)21-10-13-23(14-11-21)36-37(4,31)32/h5-17,30H,18H2,1-4H3