sodium; 4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-olate; propane-1,2,3-triol

Systemtic Name: sodium; 4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-olate; propane-1,2,3-triol Openeye Name: sodium; 4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-olate; glycerol CAS Name: sodium; 4-butyl-5-oxo-1,2-diphenyl-3-pyrazololate; propane-1,2,3-triol IUPAC Name: sodium; 4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate; propane-1,2,3-triol Traditional Name: sodium; 4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-olate; glycerol Formula: C22H27N2NaO5 MolecularWeight: 422.44995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].C(C(CO)O)O.[Na+]

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].C(C(CO)O)O.[Na+]

InChI

InChI=1S/C19H20N2O2.C3H8O3.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;4-1-3(6)2-5;/h4-13,22H,2-3,14H2,1H3;3-6H,1-2H2;/q;;+1/p-1