methyl 2-[2-(2-methoxysulfonyl-4-nitro-phenyl)ethynyl]-5-nitro-benzenesulfonate

Systemtic Name: methyl 2-[2-(2-methoxysulfonyl-4-nitro-phenyl)ethynyl]-5-nitro-benzenesulfonate Openeye Name: methyl 2-[2-(2-methoxysulfonyl-4-nitro-phenyl)ethynyl]-5-nitro-benzenesulfonate CAS Name: 2-[2-(2-methoxysulfonyl-4-nitrophenyl)ethynyl]-5-nitrobenzenesulfonic acid methyl ester IUPAC Name: methyl 2-[2-(2-methoxysulfonyl-4-nitrophenyl)ethynyl]-5-nitrobenzenesulfonate Traditional Name: 2-[2-(2-methoxysulfonyl-4-nitro-phenyl)ethynyl]-5-nitro-benzenesulfonic acid methyl ester Formula: C16H12N2O10S2 MolecularWeight: 456.40388

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C#CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)OC

Isomeric SMILES

COS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C#CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)OC

InChI

InChI=1S/C16H12N2O10S2/c1-27-29(23,24)15-9-13(17(19)20)7-5-11(15)3-4-12-6-8-14(18(21)22)10-16(12)30(25,26)28-2/h5-10H,1-2H3