2-methylidene-3-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]heptanoate

Systemtic Name: 2-methylidene-3-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]heptanoate Openeye Name: 3-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]-2-methylene-heptanoate CAS Name: 3-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-2-methyleneheptanoate IUPAC Name: 3-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-2-methylideneheptanoate Traditional Name: (E)-3-butyl-6-hydroxy-6-keto-5-methyl-2-methylene-hex-4-enoate Formula: C12H17O4- MolecularWeight: 225.26098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(/C=C(\C)/C(=O)O)C(=C)C(=O)[O-]

InChI

InChI=1S/C12H18O4/c1-4-5-6-10(9(3)12(15)16)7-8(2)11(13)14/h7,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)/p-1/b8-7+