1-(1,3-benzodioxol-5-yl)propan-2-yl hexadecanoate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)propan-2-yl hexadecanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl] hexadecanoate CAS Name: hexadecanoic acid 1-(1,3-benzodioxol-5-yl)propan-2-yl ester IUPAC Name: 1-(1,3-benzodioxol-5-yl)propan-2-yl hexadecanoate Traditional Name: palmitic acid [2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl] ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(27)30-22(2)19-23-17-18-24-25(20-23)29-21-28-24/h17-18,20,22H,3-16,19,21H2,1-2H3