dodecanoate; (Z)-2-methylbut-2-enedioate

Systemtic Name: dodecanoate; (Z)-2-methylbut-2-enedioate Openeye Name: dodecanoate; (Z)-2-methylbut-2-enedioate CAS Name: dodecanoate; (Z)-2-methyl-2-butenedioate IUPAC Name: dodecanoate; (Z)-2-methylbut-2-enedioate Traditional Name: laurate; (Z)-2-methylbut-2-enedioate Formula: C17H27O6-3 MolecularWeight: 327.39268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CC(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].C/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C12H24O2.C5H6O4/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3(5(8)9)2-4(6)7/h2-11H2,1H3,(H,13,14);2H,1H3,(H,6,7)(H,8,9)/p-3/b;3-2-