3-hexadecylsulfanyl-2-methyl-propanoic acid

Systemtic Name: 3-hexadecylsulfanyl-2-methyl-propanoic acid Openeye Name: 3-hexadecylsulfanyl-2-methyl-propanoic acid CAS Name: 3-(hexadecylthio)-2-methylpropanoic acid IUPAC Name: 3-hexadecylsulfanyl-2-methylpropanoic acid Traditional Name: 3-(cetylthio)-2-methyl-propionic acid Formula: C20H40O2S MolecularWeight: 344.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C)C(=O)O

InChI

InChI=1S/C20H40O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-19(2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)