[5-[4-(3-aminophenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[4-(3-aminophenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [5-[4-(3-aminophenyl)-2-hydroxy-3,6-dimethoxy-phenyl]-2-benzyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(3-aminophenyl)-2-hydroxy-3,6-dimethoxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(3-aminophenyl)-2-hydroxy-3,6-dimethoxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[4-(3-aminophenyl)-2-hydroxy-3,6-dimethoxy-phenyl]-2-benzoxy-phenyl] ester Formula: C28H27NO7S MolecularWeight: 521.58148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC(=CC=C2)N)OC)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC(=CC=C2)N)OC)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C28H27NO7S/c1-33-25-16-22(19-10-7-11-21(29)14-19)28(34-2)27(30)26(25)20-12-13-23(24(15-20)36-37(3,31)32)35-17-18-8-5-4-6-9-18/h4-16,30H,17,29H2,1-3H3