4-[bis(phenylcarbonyl)amino]-2,5-diethoxy-benzenediazonium sulfate

Systemtic Name: 4-[bis(phenylcarbonyl)amino]-2,5-diethoxy-benzenediazonium sulfate Openeye Name: 4-(dibenzoylamino)-2,5-diethoxy-benzenediazonium sulfate CAS Name: 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium sulfate IUPAC Name: 4-(dibenzoylamino)-2,5-diethoxybenzenediazonium sulfate Traditional Name: 4-(dibenzoylamino)-2,5-diethoxy-benzenediazonium sulfate Formula: C48H44N6O12S MolecularWeight: 928.96096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1[N+]#N)OCC)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.CCOC1=CC(=C(C=C1[N+]#N)OCC)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1[N+]#N)OCC)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.CCOC1=CC(=C(C=C1[N+]#N)OCC)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C24H22N3O4.H2O4S/c2*1-3-30-21-16-20(22(31-4-2)15-19(21)26-25)27(23(28)17-11-7-5-8-12-17)24(29)18-13-9-6-10-14-18;1-5(2,3)4/h2*5-16H,3-4H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2