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

Systemtic Name: hexadecyl 2-(6-methylsulfanylnaphthalen-2-yl)ethanoate Openeye Name: hexadecyl 2-(6-methylsulfanyl-2-naphthyl)acetate CAS Name: 2-[6-(methylthio)-2-naphthalenyl]acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-(6-methylsulfanylnaphthalen-2-yl)acetate Traditional Name: 2-[6-(methylthio)-2-naphthyl]acetic acid cetyl ester Formula: C29H44O2S MolecularWeight: 456.72346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC1=CC2=C(C=C1)C=C(C=C2)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC1=CC2=C(C=C1)C=C(C=C2)SC

InChI

InChI=1S/C29H44O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-29(30)23-25-17-18-27-24-28(32-2)20-19-26(27)22-25/h17-20,22,24H,3-16,21,23H2,1-2H3