(E)-4-(7,8-dimethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one

Systemtic Name: (E)-4-(7,8-dimethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Openeye Name: (E)-4-(7,8-dimethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one CAS Name: (E)-4-(7,8-dimethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-buten-2-one IUPAC Name: (E)-4-(7,8-dimethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Traditional Name: (E)-4-(7,8-dimethoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)but-3-en-2-one Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(COC2=CC(=C(C=C21)OC)OC)(C)C

Isomeric SMILES

CC(=O)/C=C/C1=CC(COC2=CC(=C(C=C21)OC)OC)(C)C

InChI

InChI=1S/C18H22O4/c1-12(19)6-7-13-10-18(2,3)11-22-15-9-17(21-5)16(20-4)8-14(13)15/h6-10H,11H2,1-5H3/b7-6+