13-hexadecylsulfanyltrideca-10,12-diynoic acid

Systemtic Name: 13-hexadecylsulfanyltrideca-10,12-diynoic acid Openeye Name: 13-hexadecylsulfanyltrideca-10,12-diynoic acid CAS Name: 13-(hexadecylthio)trideca-10,12-diynoic acid IUPAC Name: 13-hexadecylsulfanyltrideca-10,12-diynoic acid Traditional Name: 13-(cetylthio)trideca-10,12-diynoic acid Formula: C29H50O2S MolecularWeight: 462.7711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC#CC#CCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC#CC#CCCCCCCCCC(=O)O

InChI

InChI=1S/C29H50O2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-32-28-25-22-19-16-13-11-14-17-20-23-26-29(30)31/h2-18,20-21,23-24,26-27H2,1H3,(H,30,31)