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

Systemtic Name: [5-[3,6-dimethoxy-4-(4-methyl-3-nitro-phenyl)-2-methylsulfonyloxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[3,6-dimethoxy-4-(4-methyl-3-nitro-phenyl)-2-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[3,6-dimethoxy-4-(4-methyl-3-nitrophenyl)-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[3,6-dimethoxy-4-(4-methyl-3-nitrophenyl)-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[3,6-dimethoxy-4-(4-methyl-3-nitro-phenyl)-2-methylsulfonyloxy-phenyl]phenyl] ester Formula: C30H29NO11S2 MolecularWeight: 643.68136

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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)OS(=O)(=O)C)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)OS(=O)(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H29NO11S2/c1-19-11-12-21(15-24(19)31(32)33)23-17-27(38-2)28(30(29(23)39-3)42-44(5,36)37)22-13-14-25(26(16-22)41-43(4,34)35)40-18-20-9-7-6-8-10-20/h6-17H,18H2,1-5H3