4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepine

Systemtic Name: 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepine Openeye Name: 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepine CAS Name: 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepin IUPAC Name: 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepine Traditional Name: 4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepin Formula: C12H18O MolecularWeight: 178.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCOC(C1)C=CC(=C)C

Isomeric SMILES

CC1=CCCOC(C1)/C=C/C(=C)C

InChI

InChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6+