sodium 4-[4-butyl-3,5-bis(oxidanylidene)-2-phenyl-pyrazolidin-1-yl]phenolate

Systemtic Name: sodium 4-[4-butyl-3,5-bis(oxidanylidene)-2-phenyl-pyrazolidin-1-yl]phenolate Openeye Name: sodium 4-(4-butyl-3,5-dioxo-2-phenyl-pyrazolidin-1-yl)phenolate CAS Name: sodium 4-(4-butyl-3,5-dioxo-2-phenyl-1-pyrazolidinyl)phenolate IUPAC Name: sodium 4-(4-butyl-3,5-dioxo-2-phenylpyrazolidin-1-yl)phenolate Traditional Name: sodium 4-(4-butyl-3,5-diketo-2-phenyl-pyrazolidin-1-yl)phenolate Formula: C19H19N2NaO3 MolecularWeight: 346.35553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C19H20N2O3.Na/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;/h4-8,10-13,17,22H,2-3,9H2,1H3;/q;+1/p-1