3-butyl-2-methylidene-3-oxidanyl-heptanoate

Systemtic Name: 3-butyl-2-methylidene-3-oxidanyl-heptanoate Openeye Name: 3-butyl-3-hydroxy-2-methylene-heptanoate CAS Name: 3-butyl-3-hydroxy-2-methyleneheptanoate IUPAC Name: 3-butyl-3-hydroxy-2-methylideneheptanoate Traditional Name: 2-(1-butyl-1-hydroxy-pentyl)acrylate Formula: C12H21O3- MolecularWeight: 213.29334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=C)C(=O)[O-])O

Isomeric SMILES

CCCCC(CCCC)(C(=C)C(=O)[O-])O

InChI

InChI=1S/C12H22O3/c1-4-6-8-12(15,9-7-5-2)10(3)11(13)14/h15H,3-9H2,1-2H3,(H,13,14)/p-1