(E)-3-ethyl-2,4-dimethyl-hex-2-enoic acid; 4-methylhexan-3-one

Systemtic Name: (E)-3-ethyl-2,4-dimethyl-hex-2-enoic acid; 4-methylhexan-3-one Openeye Name: (E)-3-ethyl-2,4-dimethyl-hex-2-enoic acid; 4-methylhexan-3-one CAS Name: (E)-3-ethyl-2,4-dimethyl-2-hexenoic acid; 4-methyl-3-hexanone IUPAC Name: (E)-3-ethyl-2,4-dimethylhex-2-enoic acid; 4-methylhexan-3-one Traditional Name: (E)-3-ethyl-2,4-dimethyl-hex-2-enoic acid; 4-methylhexan-3-one Formula: C17H32O3 MolecularWeight: 284.43418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=C(C)C(=O)O)CC.CCC(C)C(=O)CC

Isomeric SMILES

CCC(C)/C(=C(\C)/C(=O)O)/CC.CCC(C)C(=O)CC

InChI

InChI=1S/C10H18O2.C7H14O/c1-5-7(3)9(6-2)8(4)10(11)12;1-4-6(3)7(8)5-2/h7H,5-6H2,1-4H3,(H,11,12);6H,4-5H2,1-3H3/b9-8+;