[2-[3,4-bis[(2-nitrophenyl)sulfonyloxy]phenyl]-2-oxidanylidene-ethyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-[3,4-bis[(2-nitrophenyl)sulfonyloxy]phenyl]-2-oxidanylidene-ethyl] 2-nitrobenzenesulfonate Openeye Name: [2-[3,4-bis[(2-nitrophenyl)sulfonyloxy]phenyl]-2-oxo-ethyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-[3,4-bis[(2-nitrophenyl)sulfonyloxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[3,4-bis[(2-nitrophenyl)sulfonyloxy]phenyl]-2-oxoethyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-[3,4-bis[(2-nitrophenyl)sulfonyloxy]phenyl]-2-keto-ethyl] ester Formula: C26H17N3O16S3 MolecularWeight: 723.61868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OCC(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OCC(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H17N3O16S3/c30-21(16-43-46(37,38)24-10-4-1-7-18(24)27(31)32)17-13-14-22(44-47(39,40)25-11-5-2-8-19(25)28(33)34)23(15-17)45-48(41,42)26-12-6-3-9-20(26)29(35)36/h1-15H,16H2