(E)-5-(hydroxymethyl)-2-methyl-4-propyl-hept-2-enoate

Systemtic Name: (E)-5-(hydroxymethyl)-2-methyl-4-propyl-hept-2-enoate Openeye Name: (E)-5-(hydroxymethyl)-2-methyl-4-propyl-hept-2-enoate CAS Name: (E)-5-(hydroxymethyl)-2-methyl-4-propyl-2-heptenoate IUPAC Name: (E)-5-(hydroxymethyl)-2-methyl-4-propylhept-2-enoate Traditional Name: (E)-2-methyl-5-methylol-4-propyl-hept-2-enoate Formula: C12H21O3- MolecularWeight: 213.29334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=C(C)C(=O)[O-])C(CC)CO

Isomeric SMILES

CCCC(/C=C(\C)/C(=O)[O-])C(CC)CO

InChI

InChI=1S/C12H22O3/c1-4-6-11(10(5-2)8-13)7-9(3)12(14)15/h7,10-11,13H,4-6,8H2,1-3H3,(H,14,15)/p-1/b9-7+