(2E,5E)-8-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-octa-2,5-dien-4-one

Systemtic Name: (2E,5E)-8-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-octa-2,5-dien-4-one Openeye Name: (2E,5E)-8-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-octa-2,5-dien-4-one CAS Name: (2E,5E)-8-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-4-octa-2,5-dienone IUPAC Name: (2E,5E)-8-(1,3-benzodioxol-5-yl)-3-ethyl-5-methylocta-2,5-dien-4-one Traditional Name: (2E,5E)-8-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-octa-2,5-dien-4-one Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(=O)C(=CCCC1=CC2=C(C=C1)OCO2)C

Isomeric SMILES

CC/C(=C\C)/C(=O)/C(=C/CCC1=CC2=C(C=C1)OCO2)/C

InChI

InChI=1S/C18H22O3/c1-4-15(5-2)18(19)13(3)7-6-8-14-9-10-16-17(11-14)21-12-20-16/h4,7,9-11H,5-6,8,12H2,1-3H3/b13-7+,15-4+