[(7R)-3,7-dimethyl-6,8-bis(oxidanylidene)-3,4-dihydroisochromen-7-yl] hexadecanoate

Systemtic Name: [(7R)-3,7-dimethyl-6,8-bis(oxidanylidene)-3,4-dihydroisochromen-7-yl] hexadecanoate Openeye Name: [(7R)-3,7-dimethyl-6,8-dioxo-3,4-dihydroisochromen-7-yl] hexadecanoate CAS Name: hexadecanoic acid [(7R)-3,7-dimethyl-6,8-dioxo-3,4-dihydro-2-benzopyran-7-yl] ester IUPAC Name: [(7R)-3,7-dimethyl-6,8-dioxo-3,4-dihydroisochromen-7-yl] hexadecanoate Traditional Name: palmitic acid [(7R)-6,8-diketo-3,7-dimethyl-3,4-dihydroisochromen-7-yl] ester Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1(C(=O)C=C2CC(OC=C2C1=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@]1(C(=O)C=C2CC(OC=C2C1=O)C)C

InChI

InChI=1S/C27H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)32-27(3)24(28)19-22-18-21(2)31-20-23(22)26(27)30/h19-21H,4-18H2,1-3H3/t21?,27-/m1/s1