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hexadecyl 4-(2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxybutanoate

hexadecyl 4-(2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxybutanoate

Systemtic Name:hexadecyl 4-(2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxybutanoate
Openeye Name:hexadecyl 4-(2-hydroxy-4-oxo-chromen-6-yl)oxybutanoate
CAS Name:4-[(2-hydroxy-4-oxo-1-benzopyran-6-yl)oxy]butanoic acid hexadecyl ester
IUPAC Name:hexadecyl 4-(2-hydroxy-4-oxochromen-6-yl)oxybutanoate
Traditional Name:4-(2-hydroxy-4-keto-chromen-6-yl)oxybutyric acid cetyl ester
Formula: C29H44O6
MolecularWeight: 488.65606
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCOC1=CC2=C(C=C1)OC(=CC2=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCOC1=CC2=C(C=C1)OC(=CC2=O)O


InChI

InChI=1S/C29H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-34-28(31)17-16-21-33-24-18-19-27-25(22-24)26(30)23-29(32)35-27/h18-19,22-23,32H,2-17,20-21H2,1H3


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