sodium ethoxy-[phenyl-[(4-phenyldiazenylphenyl)amino]methyl]phosphinate hydrate

Systemtic Name: sodium ethoxy-[phenyl-[(4-phenyldiazenylphenyl)amino]methyl]phosphinate hydrate Openeye Name: sodium ethoxy-[phenyl-(4-phenylazoanilino)methyl]phosphinate hydrate CAS Name: sodium ethoxy-[phenyl-(4-phenyldiazenylanilino)methyl]phosphinate hydrate IUPAC Name: sodium ethoxy-[phenyl-(4-phenyldiazenylanilino)methyl]phosphinate hydrate Traditional Name: sodium ethoxy-[phenyl-(4-phenylazoanilino)methyl]phosphinate hydrate Formula: C21H23N3NaO4P MolecularWeight: 435.388551

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)[O-].O.[Na+]

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)[O-].O.[Na+]

InChI

InChI=1S/C21H22N3O3P.Na.H2O/c1-2-27-28(25,26)21(17-9-5-3-6-10-17)22-18-13-15-20(16-14-18)24-23-19-11-7-4-8-12-19;;/h3-16,21-22H,2H2,1H3,(H,25,26);;1H2/q;+1;/p-1