[4-[2-(cyclopropylmethoxy)-5-methoxy-4-(3-methoxy-4-phenylmethoxy-phenyl)-3-oxidanyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2-(cyclopropylmethoxy)-5-methoxy-4-(3-methoxy-4-phenylmethoxy-phenyl)-3-oxidanyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methoxy-phenyl)-2-(cyclopropylmethoxy)-3-hydroxy-5-methoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-(cyclopropylmethoxy)-3-hydroxy-5-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[2-(cyclopropylmethoxy)-3-hydroxy-5-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methoxy-phenyl)-2-(cyclopropylmethoxy)-3-hydroxy-5-methoxy-phenyl]phenyl] ester Formula: C32H32O8S MolecularWeight: 576.65668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OCC3CC3)C4=CC=C(C=C4)OS(=O)(=O)C)OC)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OCC3CC3)C4=CC=C(C=C4)OS(=O)(=O)C)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C32H32O8S/c1-36-28-17-24(13-16-27(28)38-19-21-7-5-4-6-8-21)30-29(37-2)18-26(32(31(30)33)39-20-22-9-10-22)23-11-14-25(15-12-23)40-41(3,34)35/h4-8,11-18,22,33H,9-10,19-20H2,1-3H3