sodium (E)-[3-ethoxy-5-oxidanylidene-1-[4-(tridecanoylamino)phenyl]pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-ethoxy-5-oxidanylidene-1-[4-(tridecanoylamino)phenyl]pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-ethoxy-5-oxo-1-[4-(tridecanoylamino)phenyl]pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-ethoxy-5-oxo-1-[4-(1-oxotridecylamino)phenyl]-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-ethoxy-5-oxo-1-[4-(tridecanoylamino)phenyl]pyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[3-ethoxy-5-keto-1-[4-(tridecanoylamino)phenyl]-2-pyrazolin-4-ylidene]methanolate Formula: C25H36N3NaO4 MolecularWeight: 465.56081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)OCC.[Na+]

InChI

InChI=1S/C25H37N3O4.Na/c1-3-5-6-7-8-9-10-11-12-13-14-23(30)26-20-15-17-21(18-16-20)28-25(31)22(19-29)24(27-28)32-4-2;/h15-19,29H,3-14H2,1-2H3,(H,26,30);/q;+1/p-1/b22-19+;