(7E)-7-[3-(1,3-benzodioxol-5-yl)propylidene]-3-methyl-undecan-3-ol

Systemtic Name: (7E)-7-[3-(1,3-benzodioxol-5-yl)propylidene]-3-methyl-undecan-3-ol Openeye Name: (7E)-7-[3-(1,3-benzodioxol-5-yl)propylidene]-3-methyl-undecan-3-ol CAS Name: (7E)-7-[3-(1,3-benzodioxol-5-yl)propylidene]-3-methyl-3-undecanol IUPAC Name: (7E)-7-[3-(1,3-benzodioxol-5-yl)propylidene]-3-methylundecan-3-ol Traditional Name: (E)-10-(1,3-benzodioxol-5-yl)-7-butyl-3-methyl-dec-7-en-3-ol Formula: C22H34O3 MolecularWeight: 346.50356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CCCC1=CC2=C(C=C1)OCO2)CCCC(C)(CC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H34O3/c1-4-6-9-18(12-8-15-22(3,23)5-2)10-7-11-19-13-14-20-21(16-19)25-17-24-20/h10,13-14,16,23H,4-9,11-12,15,17H2,1-3H3/b18-10+