(E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)oct-1-en-3-one

Systemtic Name: (E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)oct-1-en-3-one Openeye Name: (E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)oct-1-en-3-one CAS Name: (E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-octen-3-one IUPAC Name: (E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)oct-1-en-3-one Traditional Name: (E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)oct-1-en-3-one Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=CC(COC2=C1C=CC(=C2)OC)(C)C

Isomeric SMILES

CCCCCC(=O)/C=C/C1=CC(COC2=C1C=CC(=C2)OC)(C)C

InChI

InChI=1S/C21H28O3/c1-5-6-7-8-17(22)10-9-16-14-21(2,3)15-24-20-13-18(23-4)11-12-19(16)20/h9-14H,5-8,15H2,1-4H3/b10-9+