3-methylidene-7-(4-methylpentyl)-1,5-benzodioxepine

Systemtic Name: 3-methylidene-7-(4-methylpentyl)-1,5-benzodioxepine Openeye Name: 7-isohexyl-3-methylene-1,5-benzodioxepine CAS Name: 3-methylene-7-(4-methylpentyl)-1,5-benzodioxepin IUPAC Name: 3-methylidene-7-(4-methylpentyl)-1,5-benzodioxepine Traditional Name: 7-isohexyl-3-methylene-1,5-benzodioxepin Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC2=C(C=C1)OCC(=C)CO2

Isomeric SMILES

CC(C)CCCC1=CC2=C(C=C1)OCC(=C)CO2

InChI

InChI=1S/C16H22O2/c1-12(2)5-4-6-14-7-8-15-16(9-14)18-11-13(3)10-17-15/h7-9,12H,3-6,10-11H2,1-2H3