(Z)-4-diazonio-1,7-bis(4-methoxysulfonylnaphthalen-1-yl)-5-oxidanylidene-hept-3-en-3-olate

Systemtic Name: (Z)-4-diazonio-1,7-bis(4-methoxysulfonylnaphthalen-1-yl)-5-oxidanylidene-hept-3-en-3-olate Openeye Name: (Z)-4-diazonio-1,7-bis(4-methoxysulfonyl-1-naphthyl)-5-oxo-hept-3-en-3-olate CAS Name: (Z)-4-diazonio-1,7-bis(4-methoxysulfonyl-1-naphthalenyl)-5-oxo-3-hepten-3-olate IUPAC Name: (Z)-4-diazonio-1,7-bis(4-methoxysulfonylnaphthalen-1-yl)-5-oxohept-3-en-3-olate Traditional Name: (Z)-4-diazonio-5-keto-1,7-bis(4-methoxysulfonyl-1-naphthyl)hept-3-en-3-olate Formula: C29H26N2O8S2 MolecularWeight: 594.65534

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC=C(C2=CC=CC=C21)CCC(=C(C(=O)CCC3=CC=C(C4=CC=CC=C34)S(=O)(=O)OC)[N+]#N)[O-]

Isomeric SMILES

COS(=O)(=O)C1=CC=C(C2=CC=CC=C21)CC/C(=C(\C(=O)CCC3=CC=C(C4=CC=CC=C34)S(=O)(=O)OC)/[N+]#N)/[O-]

InChI

InChI=1S/C29H26N2O8S2/c1-38-40(34,35)27-17-13-19(21-7-3-5-9-23(21)27)11-15-25(32)29(31-30)26(33)16-12-20-14-18-28(41(36,37)39-2)24-10-6-4-8-22(20)24/h3-10,13-14,17-18H,11-12,15-16H2,1-2H3