octadecane-1,18-diol; 3-sulfanylpropane-1,2-diol

Systemtic Name: octadecane-1,18-diol; 3-sulfanylpropane-1,2-diol Openeye Name: octadecane-1,18-diol; 3-sulfanylpropane-1,2-diol CAS Name: 3-mercaptopropane-1,2-diol; octadecane-1,18-diol IUPAC Name: octadecane-1,18-diol; 3-sulfanylpropane-1,2-diol Traditional Name: 3-mercaptopropane-1,2-diol; octadecane-1,18-diol Formula: C21H46O4S MolecularWeight: 394.65254

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCO)CCCCCCCCO.C(C(CS)O)O

Isomeric SMILES

C(CCCCCCCCCO)CCCCCCCCO.C(C(CS)O)O

InChI

InChI=1S/C18H38O2.C3H8O2S/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20;4-1-3(5)2-6/h19-20H,1-18H2;3-6H,1-2H2