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

Systemtic Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxy-phenyl)phenyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2,5-dimethoxy-3-methylsulfonyloxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methylsulfonyloxy-phenyl)-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]-2-methoxy-phenyl] ester Formula: C31H32O13S3 MolecularWeight: 708.77298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C)OC)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C(=C2OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C)OC)OS(=O)(=O)C

InChI

InChI=1S/C31H32O13S3/c1-38-26-16-21(12-15-25(26)42-45(4,32)33)23-18-28(39-2)29(31(30(23)40-3)44-47(6,36)37)22-13-14-24(27(17-22)43-46(5,34)35)41-19-20-10-8-7-9-11-20/h7-18H,19H2,1-6H3