1,7-bis(4-methoxysulfonylnaphthalen-1-yl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium

Systemtic Name: 1,7-bis(4-methoxysulfonylnaphthalen-1-yl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium Openeye Name: 3-hydroxy-1,7-bis(4-methoxysulfonyl-1-naphthyl)-5-oxo-hept-3-ene-4-diazonium CAS Name: 3-hydroxy-1,7-bis(4-methoxysulfonyl-1-naphthalenyl)-5-oxo-3-heptene-4-diazonium IUPAC Name: 3-hydroxy-1,7-bis(4-methoxysulfonylnaphthalen-1-yl)-5-oxohept-3-ene-4-diazonium Traditional Name: 3-hydroxy-5-keto-1,7-bis(4-methoxysulfonyl-1-naphthyl)hept-3-ene-4-diazonium Formula: C29H27N2O8S2+ MolecularWeight: 595.66328

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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)CCC(=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/p+1