sodium (Z)-3-methyloct-2-en-6-ynoate

Systemtic Name: sodium (Z)-3-methyloct-2-en-6-ynoate Openeye Name: sodium (Z)-3-methyloct-2-en-6-ynoate CAS Name: sodium (Z)-3-methyloct-2-en-6-ynoate IUPAC Name: sodium (Z)-3-methyloct-2-en-6-ynoate Traditional Name: sodium (Z)-3-methyloct-2-en-6-ynoate Formula: C9H11NaO2 MolecularWeight: 174.17221

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC(=CC(=O)[O-])C.[Na+]

Isomeric SMILES

CC#CCC/C(=C\C(=O)[O-])/C.[Na+]

InChI

InChI=1S/C9H12O2.Na/c1-3-4-5-6-8(2)7-9(10)11;/h7H,5-6H2,1-2H3,(H,10,11);/q;+1/p-1/b8-7-;