hexadecyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate

Systemtic Name: hexadecyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate Openeye Name: hexadecyl 2-(6-methylsulfanyl-2-naphthyl)propanoate CAS Name: 2-[6-(methylthio)-2-naphthalenyl]propanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate Traditional Name: 2-[6-(methylthio)-2-naphthyl]propionic acid cetyl ester Formula: C30H46O2S MolecularWeight: 470.75004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-30(31)25(2)26-18-19-28-24-29(33-3)21-20-27(28)23-26/h18-21,23-25H,4-17,22H2,1-3H3