hexadecyl 3,3-bis(fluoranyl)-2-(6-methylsulfanylnaphthalen-2-yl)propanoate

Systemtic Name: hexadecyl 3,3-bis(fluoranyl)-2-(6-methylsulfanylnaphthalen-2-yl)propanoate Openeye Name: hexadecyl 3,3-difluoro-2-(6-methylsulfanyl-2-naphthyl)propanoate CAS Name: 3,3-difluoro-2-[6-(methylthio)-2-naphthalenyl]propanoic acid hexadecyl ester IUPAC Name: hexadecyl 3,3-difluoro-2-(6-methylsulfanylnaphthalen-2-yl)propanoate Traditional Name: 3,3-difluoro-2-[6-(methylthio)-2-naphthyl]propionic acid cetyl ester Formula: C30H44F2O2S MolecularWeight: 506.730966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)SC)C(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)SC)C(F)F

InChI

InChI=1S/C30H44F2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34-30(33)28(29(31)32)26-18-17-25-23-27(35-2)20-19-24(25)22-26/h17-20,22-23,28-29H,3-16,21H2,1-2H3