methyl 4-[(4-methoxysulfonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzenesulfonate

Systemtic Name: methyl 4-[(4-methoxysulfonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzenesulfonate Openeye Name: methyl 4-[(4-methoxysulfonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzenesulfonate CAS Name: 4-[(4-methoxysulfonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzenesulfonic acid methyl ester IUPAC Name: methyl 4-[(4-methoxysulfonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzenesulfonate Traditional Name: 4-[(4-methoxysulfonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzenesulfonic acid methyl ester Formula: C14H12N2O10S4 MolecularWeight: 496.51248

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)S(=O)(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COS(=O)(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)S(=O)(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O10S4/c1-25-29(21,22)9-3-5-13(11(7-9)15(17)18)27-28-14-6-4-10(30(23,24)26-2)8-12(14)16(19)20/h3-8H,1-2H3