octadecyl 2-methyl-3-tridecylsulfanyl-propanoate

Systemtic Name: octadecyl 2-methyl-3-tridecylsulfanyl-propanoate Openeye Name: octadecyl 2-methyl-3-tridecylsulfanyl-propanoate CAS Name: 2-methyl-3-(tridecylthio)propanoic acid octadecyl ester IUPAC Name: octadecyl 2-methyl-3-tridecylsulfanylpropanoate Traditional Name: 2-methyl-3-(tridecylthio)propionic acid stearyl ester Formula: C35H70O2S MolecularWeight: 554.9941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)CSCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)CSCCCCCCCCCCCCC

InChI

InChI=1S/C35H70O2S/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37-35(36)34(3)33-38-32-30-28-26-24-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3