[12-methyl-3-(16-methylheptadecylsulfanyl)tridecyl] propanoate

Systemtic Name: [12-methyl-3-(16-methylheptadecylsulfanyl)tridecyl] propanoate Openeye Name: [12-methyl-3-(16-methylheptadecylsulfanyl)tridecyl] propanoate CAS Name: propanoic acid [12-methyl-3-(16-methylheptadecylthio)tridecyl] ester IUPAC Name: [12-methyl-3-(16-methylheptadecylsulfanyl)tridecyl] propanoate Traditional Name: propionic acid [12-methyl-3-(16-methylheptadecylthio)tridecyl] ester Formula: C35H70O2S MolecularWeight: 554.9941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC(CCCCCCCCC(C)C)SCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCC(=O)OCCC(CCCCCCCCC(C)C)SCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C35H70O2S/c1-6-35(36)37-30-29-34(28-24-20-16-15-19-23-27-33(4)5)38-31-25-21-17-13-11-9-7-8-10-12-14-18-22-26-32(2)3/h32-34H,6-31H2,1-5H3