sodium (Z)-3-ethoxycarbonyl-1-ethynoxy-1-oxidanylidene-heptadec-2-en-2-olate

Systemtic Name: sodium (Z)-3-ethoxycarbonyl-1-ethynoxy-1-oxidanylidene-heptadec-2-en-2-olate Openeye Name: sodium (Z)-3-ethoxycarbonyl-1-ethynoxy-1-oxo-heptadec-2-en-2-olate CAS Name: sodium (Z)-3-ethoxycarbonyl-1-ethynoxy-1-oxo-2-heptadecen-2-olate IUPAC Name: sodium (Z)-3-ethoxycarbonyl-1-ethynoxy-1-oxoheptadec-2-en-2-olate Traditional Name: sodium (Z)-3-carbethoxy-1-ethynoxy-1-keto-heptadec-2-en-2-olate Formula: C22H35NaO5 MolecularWeight: 402.50007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=C(C(=O)OC#C)[O-])C(=O)OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC/C(=C(\C(=O)OC#C)/[O-])/C(=O)OCC.[Na+]

InChI

InChI=1S/C22H36O5.Na/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19(21(24)26-5-2)20(23)22(25)27-6-3;/h3,23H,4-5,7-18H2,1-2H3;/q;+1/p-1/b20-19-;