ethanoic acid; [9-(hydroxymethyl)-1-thia-4,7,10-triazacyclododec-5-yl]methanol

Systemtic Name: ethanoic acid; [9-(hydroxymethyl)-1-thia-4,7,10-triazacyclododec-5-yl]methanol Openeye Name: acetic acid; [9-(hydroxymethyl)-1-thia-4,7,10-triazacyclododec-5-yl]methanol CAS Name: acetic acid; [9-(hydroxymethyl)-1-thia-4,7,10-triazacyclododec-5-yl]methanol IUPAC Name: acetic acid; [9-(hydroxymethyl)-1-thia-4,7,10-triazacyclododec-5-yl]methanol Traditional Name: acetic acid; (9-methylol-1-thia-4,7,10-triazacyclododec-5-yl)methanol Formula: C16H35N3O8S MolecularWeight: 429.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.C1CSCCNC(CNCC(N1)CO)CO

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.C1CSCCNC(CNCC(N1)CO)CO

InChI

InChI=1S/C10H23N3O2S.3C2H4O2/c14-7-9-5-11-6-10(8-15)13-2-4-16-3-1-12-9;3*1-2(3)4/h9-15H,1-8H2;3*1H3,(H,3,4)