sodium 2-methyl-2-oxidanyl-3-oxidanylidene-tridec-12-enoate

Systemtic Name: sodium 2-methyl-2-oxidanyl-3-oxidanylidene-tridec-12-enoate Openeye Name: sodium 2-hydroxy-2-methyl-3-oxo-tridec-12-enoate CAS Name: sodium 2-hydroxy-2-methyl-3-oxo-12-tridecenoate IUPAC Name: sodium 2-hydroxy-2-methyl-3-oxotridec-12-enoate Traditional Name: sodium 2-hydroxy-3-keto-2-methyl-tridec-12-enoate Formula: C14H23NaO4 MolecularWeight: 278.31979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24O4.Na/c1-3-4-5-6-7-8-9-10-11-12(15)14(2,18)13(16)17;/h3,18H,1,4-11H2,2H3,(H,16,17);/q;+1/p-1