4-[bis(phenylmethyl)amino]-2-chloranyl-5-(2-hydroxyethyloxy)benzenediazonium; ethanedioate

Systemtic Name: 4-[bis(phenylmethyl)amino]-2-chloranyl-5-(2-hydroxyethyloxy)benzenediazonium; ethanedioate Openeye Name: 2-chloro-4-(dibenzylamino)-5-(2-hydroxyethoxy)benzenediazonium; oxalate CAS Name: 4-[bis(phenylmethyl)amino]-2-chloro-5-(2-hydroxyethoxy)benzenediazonium; oxalate IUPAC Name: 2-chloro-4-(dibenzylamino)-5-(2-hydroxyethoxy)benzenediazonium; oxalate Traditional Name: 2-chloro-4-(dibenzylamino)-5-(2-hydroxyethoxy)benzenediazonium; oxalate Formula: C46H42Cl2N6O8 MolecularWeight: 877.76708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C(=C3)Cl)[N+]#N)OCCO.C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C(=C3)Cl)[N+]#N)OCCO.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C(=C3)Cl)[N+]#N)OCCO.C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C(=C3)Cl)[N+]#N)OCCO.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C22H21ClN3O2.C2H2O4/c2*23-19-13-21(22(28-12-11-27)14-20(19)25-24)26(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;3-1(4)2(5)6/h2*1-10,13-14,27H,11-12,15-16H2;(H,3,4)(H,5,6)/q2*+1;/p-2