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1-(1-phosphonooctylcarbamothioylamino)octylphosphonic acid

1-(1-phosphonooctylcarbamothioylamino)octylphosphonic acid

Systemtic Name:1-(1-phosphonooctylcarbamothioylamino)octylphosphonic acid
Openeye Name:1-(1-phosphonooctylcarbamothioylamino)octylphosphonic acid
CAS Name:1-[[(1-phosphonooctylamino)-sulfanylidenemethyl]amino]octylphosphonic acid
IUPAC Name:1-(1-phosphonooctylcarbamothioylamino)octylphosphonic acid
Traditional Name:1-(1-phosphonooctylthiocarbamoylamino)octylphosphonic acid
Formula: C17H38N2O6P2S
MolecularWeight: 460.505942
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(NC(=S)NC(CCCCCCC)P(=O)(O)O)P(=O)(O)O


Isomeric SMILES

CCCCCCCC(NC(=S)NC(CCCCCCC)P(=O)(O)O)P(=O)(O)O


InChI

InChI=1S/C17H38N2O6P2S/c1-3-5-7-9-11-13-15(26(20,21)22)18-17(28)19-16(27(23,24)25)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3,(H2,18,19,28)(H2,20,21,22)(H2,23,24,25)


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