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

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

Systemtic Name:[(7R)-3,7-dimethyl-6,8-bis(oxidanylidene)isochromen-7-yl] hexadecanoate
Openeye Name:[(7R)-3,7-dimethyl-6,8-dioxo-isochromen-7-yl] hexadecanoate
CAS Name:hexadecanoic acid [(7R)-3,7-dimethyl-6,8-dioxo-2-benzopyran-7-yl] ester
IUPAC Name:[(7R)-3,7-dimethyl-6,8-dioxoisochromen-7-yl] hexadecanoate
Traditional Name:palmitic acid [(7R)-6,8-diketo-3,7-dimethyl-isochromen-7-yl] ester
Formula: C27H40O5
MolecularWeight: 444.6035
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C)C


Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@]1(C(=O)C=C2C=C(OC=C2C1=O)C)C


InChI

InChI=1S/C27H40O5/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/h18-20H,4-17H2,1-3H3/t27-/m1/s1


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