[4-[4-[4-(2-diazanyl-2-oxidanylidene-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[4-(2-diazanyl-2-oxidanylidene-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[4-(2-hydrazino-2-oxo-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[4-(2-hydrazinyl-2-oxoethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-[4-(2-hydrazinyl-2-oxoethoxy)-3-methylsulfonyloxyphenyl]-2,5-dimethoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[4-(2-hydrazino-2-keto-ethoxy)-3-methylsulfonyloxy-phenyl]-2,5-dimethoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C25H28N2O13S3 MolecularWeight: 660.69042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC(=O)NN)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)OS(=O)(=O)C)C3=CC(=C(C=C3)OCC(=O)NN)OS(=O)(=O)C

InChI

InChI=1S/C25H28N2O13S3/c1-35-21-13-18(15-6-9-17(10-7-15)38-41(3,29)30)24(36-2)25(40-43(5,33)34)23(21)16-8-11-19(37-14-22(28)27-26)20(12-16)39-42(4,31)32/h6-13H,14,26H2,1-5H3,(H,27,28)