hexadecanoic acid; 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol

Systemtic Name: hexadecanoic acid; 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol Openeye Name: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol; palmitic acid CAS Name: hexadecanoic acid; 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol IUPAC Name: hexadecanoic acid; 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol Traditional Name: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-ol; palmitic acid Formula: C28H47NO6 MolecularWeight: 493.67588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)O.CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O.CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3

InChI

InChI=1S/C16H32O2.C12H15NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14/h2-15H2,1H3,(H,17,18);5,12,14H,3-4,6H2,1-2H3