butan-2-one; methyl (E)-4-methoxy-2-methyl-5-oxidanyl-hex-2-enoate

Systemtic Name: butan-2-one; methyl (E)-4-methoxy-2-methyl-5-oxidanyl-hex-2-enoate Openeye Name: butan-2-one; methyl (E)-5-hydroxy-4-methoxy-2-methyl-hex-2-enoate CAS Name: 2-butanone; (E)-5-hydroxy-4-methoxy-2-methyl-2-hexenoic acid methyl ester IUPAC Name: butan-2-one; methyl (E)-5-hydroxy-4-methoxy-2-methylhex-2-enoate Traditional Name: butan-2-one; (E)-5-hydroxy-4-methoxy-2-methyl-hex-2-enoic acid methyl ester Formula: C13H24O5 MolecularWeight: 260.32666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.C4H8O/c1-6(9(11)13-4)5-8(12-3)7(2)10;1-3-4(2)5/h5,7-8,10H,1-4H3;3H2,1-2H3/b6-5+;