2,2-dimethylhexyl (E)-2-methyl-3-oxidanyl-prop-2-enoate

Systemtic Name: 2,2-dimethylhexyl (E)-2-methyl-3-oxidanyl-prop-2-enoate Openeye Name: 2,2-dimethylhexyl (E)-3-hydroxy-2-methyl-prop-2-enoate CAS Name: (E)-3-hydroxy-2-methyl-2-propenoic acid 2,2-dimethylhexyl ester IUPAC Name: 2,2-dimethylhexyl (E)-3-hydroxy-2-methylprop-2-enoate Traditional Name: (E)-3-hydroxy-2-methyl-acrylic acid 2,2-dimethylhexyl ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)COC(=O)C(=CO)C

Isomeric SMILES

CCCCC(C)(C)COC(=O)/C(=C/O)/C

InChI

InChI=1S/C12H22O3/c1-5-6-7-12(3,4)9-15-11(14)10(2)8-13/h8,13H,5-7,9H2,1-4H3/b10-8+