4-butyl-5-oxidanyl-1,2-diphenyl-pyrazol-3-one; propane-1,2,3-triol; sodium

Systemtic Name: 4-butyl-5-oxidanyl-1,2-diphenyl-pyrazol-3-one; propane-1,2,3-triol; sodium Openeye Name: 4-butyl-5-hydroxy-1,2-diphenyl-pyrazol-3-one; glycerol; sodium CAS Name: 4-butyl-5-hydroxy-1,2-diphenyl-3-pyrazolone; propane-1,2,3-triol; sodium IUPAC Name: 4-butyl-5-hydroxy-1,2-diphenylpyrazol-3-one; propane-1,2,3-triol; sodium Traditional Name: 4-butyl-5-hydroxy-1,2-diphenyl-3-pyrazolin-3-one; glycerol; sodium Formula: C22H28N2NaO5 MolecularWeight: 423.45789

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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;