hexane; 3-sulfanylpropanoic acid

Systemtic Name: hexane; 3-sulfanylpropanoic acid Openeye Name: hexane; 3-sulfanylpropanoic acid CAS Name: hexane; 3-mercaptopropanoic acid IUPAC Name: hexane; 3-sulfanylpropanoic acid Traditional Name: 3-mercaptopropionic acid; n-hexane Formula: C9H20O2S MolecularWeight: 192.3189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C(CS)C(=O)O

Isomeric SMILES

CCCCCC.C(CS)C(=O)O

InChI

InChI=1S/C6H14.C3H6O2S/c1-3-5-6-4-2;4-3(5)1-2-6/h3-6H2,1-2H3;6H,1-2H2,(H,4,5)