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

Systemtic Name: [4-[2,5-dimethoxy-4-(3-nitro-4-phenylmethoxy-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-nitro-phenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-4-(3-nitro-4-phenylmethoxyphenyl)phenyl]phenyl] ester IUPAC Name: [4-[2,5-dimethoxy-4-(3-nitro-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-nitro-phenyl)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C28H25NO8S MolecularWeight: 535.565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H25NO8S/c1-34-27-17-24(28(35-2)16-23(27)20-9-12-22(13-10-20)37-38(3,32)33)21-11-14-26(25(15-21)29(30)31)36-18-19-7-5-4-6-8-19/h4-17H,18H2,1-3H3