18-(1,3-benzodioxol-5-yl)octadecan-2-one

Systemtic Name: 18-(1,3-benzodioxol-5-yl)octadecan-2-one Openeye Name: 18-(1,3-benzodioxol-5-yl)octadecan-2-one CAS Name: 18-(1,3-benzodioxol-5-yl)-2-octadecanone IUPAC Name: 18-(1,3-benzodioxol-5-yl)octadecan-2-one Traditional Name: 18-(1,3-benzodioxol-5-yl)octadecan-2-one Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCCCCCCCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)CCCCCCCCCCCCCCCCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C25H40O3/c1-22(26)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23-18-19-24-25(20-23)28-21-27-24/h18-20H,2-17,21H2,1H3