ethanoic acid; 1-thia-4,7,10-triazacyclododecane

Systemtic Name: ethanoic acid; 1-thia-4,7,10-triazacyclododecane Openeye Name: acetic acid; 1-thia-4,7,10-triazacyclododecane CAS Name: acetic acid; 1-thia-4,7,10-triazacyclododecane IUPAC Name: acetic acid; 1-thia-4,7,10-triazacyclododecane Traditional Name: acetic acid; 1-thia-4,7,10-triazacyclododecane Formula: C14H31N3O6S MolecularWeight: 369.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.C1CNCCSCCNCCN1

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.C1CNCCSCCNCCN1

InChI

InChI=1S/C8H19N3S.3C2H4O2/c1-3-10-5-7-12-8-6-11-4-2-9-1;3*1-2(3)4/h9-11H,1-8H2;3*1H3,(H,3,4)