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

Systemtic Name: 4-[bis(phenylmethyl)amino]-2,5-diethoxy-benzenediazonium sulfate Openeye Name: 4-(dibenzylamino)-2,5-diethoxy-benzenediazonium sulfate CAS Name: 4-[bis(phenylmethyl)amino]-2,5-diethoxybenzenediazonium sulfate IUPAC Name: 4-(dibenzylamino)-2,5-diethoxybenzenediazonium sulfate Traditional Name: 4-(dibenzylamino)-2,5-diethoxy-benzenediazonium sulfate Formula: C48H52N6O8S MolecularWeight: 873.02688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1[N+]#N)OCC)N(CC2=CC=CC=C2)CC3=CC=CC=C3.CCOC1=CC(=C(C=C1[N+]#N)OCC)N(CC2=CC=CC=C2)CC3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1[N+]#N)OCC)N(CC2=CC=CC=C2)CC3=CC=CC=C3.CCOC1=CC(=C(C=C1[N+]#N)OCC)N(CC2=CC=CC=C2)CC3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C24H26N3O2.H2O4S/c2*1-3-28-23-16-22(24(29-4-2)15-21(23)26-25)27(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20;1-5(2,3)4/h2*5-16H,3-4,17-18H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2