decanedioic acid; 2-(methylamino)-3-sulfanyl-propanoic acid

Systemtic Name: decanedioic acid; 2-(methylamino)-3-sulfanyl-propanoic acid Openeye Name: decanedioic acid; 2-(methylamino)-3-sulfanyl-propanoic acid CAS Name: decanedioic acid; 3-mercapto-2-(methylamino)propanoic acid IUPAC Name: decanedioic acid; 2-(methylamino)-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(methylamino)propionic acid; sebacic acid Formula: C14H27NO6S MolecularWeight: 337.43228

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CS)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CNC(CS)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C10H18O4.C4H9NO2S/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-5-3(2-8)4(6)7/h1-8H2,(H,11,12)(H,13,14);3,5,8H,2H2,1H3,(H,6,7)