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

Systemtic Name: [2,5-dimethoxy-3-(4-methyl-3-nitro-phenyl)-6-(3-oxidanyl-4-phenylmethoxy-phenyl)phenyl] methanesulfonate Openeye Name: [2-(4-benzyloxy-3-hydroxy-phenyl)-3,6-dimethoxy-5-(4-methyl-3-nitro-phenyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-methyl-3-nitrophenyl)phenyl] ester IUPAC Name: [2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-methyl-3-nitrophenyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-benzoxy-3-hydroxy-phenyl)-3,6-dimethoxy-5-(4-methyl-3-nitro-phenyl)phenyl] ester Formula: C29H27NO9S MolecularWeight: 565.59098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C29H27NO9S/c1-18-10-11-20(14-23(18)30(32)33)22-16-26(36-2)27(29(28(22)37-3)39-40(4,34)35)21-12-13-25(24(31)15-21)38-17-19-8-6-5-7-9-19/h5-16,31H,17H2,1-4H3