sodium; (Z)-2-cyano-3-octadecoxy-3-oxidanylidene-prop-1-en-1-olate; 1,4,7,10,13-pentaoxacyclopentadecane

Systemtic Name: sodium; (Z)-2-cyano-3-octadecoxy-3-oxidanylidene-prop-1-en-1-olate; 1,4,7,10,13-pentaoxacyclopentadecane Openeye Name: sodium; (Z)-2-cyano-3-octadecoxy-3-oxo-prop-1-en-1-olate; 1,4,7,10,13-pentaoxacyclopentadecane CAS Name: sodium; (Z)-2-cyano-3-octadecoxy-3-oxo-1-propen-1-olate; 1,4,7,10,13-pentaoxacyclopentadecane IUPAC Name: sodium; (Z)-2-cyano-3-octadecoxy-3-oxoprop-1-en-1-olate; 1,4,7,10,13-pentaoxacyclopentadecane Traditional Name: sodium; 15-crown-5; (Z)-2-cyano-3-keto-3-stearyloxy-prop-1-en-1-olate Formula: C32H58NNaO8 MolecularWeight: 607.79459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(=C[O-])C#N.C1COCCOCCOCCOCCO1.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C(=C\[O-])/C#N.C1COCCOCCOCCOCCO1.[Na+]

InChI

InChI=1S/C22H39NO3.C10H20O5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22(25)21(19-23)20-24;1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;/h20,24H,2-18H2,1H3;1-10H2;/q;;+1/p-1/b21-20-;;