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6-[6,6-bis(oxidanyl)hexylcarbamothioylamino]hexanoic acid

6-[6,6-bis(oxidanyl)hexylcarbamothioylamino]hexanoic acid

Systemtic Name:6-[6,6-bis(oxidanyl)hexylcarbamothioylamino]hexanoic acid
Openeye Name:6-(6,6-dihydroxyhexylcarbamothioylamino)hexanoic acid
CAS Name:6-[[(6,6-dihydroxyhexylamino)-sulfanylidenemethyl]amino]hexanoic acid
IUPAC Name:6-(6,6-dihydroxyhexylcarbamothioylamino)hexanoic acid
Traditional Name:6-(6,6-dihydroxyhexylthiocarbamoylamino)hexanoic acid
Formula: C13H26N2O4S
MolecularWeight: 306.42154
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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(O)O)CCNC(=S)NCCCCCC(=O)O


Isomeric SMILES

C(CCC(O)O)CCNC(=S)NCCCCCC(=O)O


InChI

InChI=1S/C13H26N2O4S/c16-11(17)7-3-1-5-9-14-13(20)15-10-6-2-4-8-12(18)19/h11,16-17H,1-10H2,(H,18,19)(H2,14,15,20)


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