10-oxidanyl-9-sulfanyl-octadecanoic acid; 3-sulfanylpropane-1,2-diol

Systemtic Name: 10-oxidanyl-9-sulfanyl-octadecanoic acid; 3-sulfanylpropane-1,2-diol Openeye Name: 10-hydroxy-9-sulfanyl-octadecanoic acid; 3-sulfanylpropane-1,2-diol CAS Name: 10-hydroxy-9-mercaptooctadecanoic acid; 3-mercaptopropane-1,2-diol IUPAC Name: 10-hydroxy-9-sulfanyloctadecanoic acid; 3-sulfanylpropane-1,2-diol Traditional Name: 10-hydroxy-9-mercapto-stearic acid; 3-mercaptopropane-1,2-diol Formula: C21H44O5S2 MolecularWeight: 440.70106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)O)S)O.C(C(CS)O)O

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)O)S)O.C(C(CS)O)O

InChI

InChI=1S/C18H36O3S.C3H8O2S/c1-2-3-4-5-7-10-13-16(19)17(22)14-11-8-6-9-12-15-18(20)21;4-1-3(5)2-6/h16-17,19,22H,2-15H2,1H3,(H,20,21);3-6H,1-2H2