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2-[3-[(phenylmethyl)amino]propylamino]ethylsulfanylphosphonic acid

2-[3-[(phenylmethyl)amino]propylamino]ethylsulfanylphosphonic acid

Systemtic Name:2-[3-[(phenylmethyl)amino]propylamino]ethylsulfanylphosphonic acid
Openeye Name:2-[3-(benzylamino)propylamino]ethylsulfanylphosphonic acid
CAS Name:[2-[3-[(phenylmethyl)amino]propylamino]ethylthio]phosphonic acid
IUPAC Name:2-[3-(benzylamino)propylamino]ethylsulfanylphosphonic acid
Traditional Name:[2-[3-(benzylamino)propylamino]ethylthio]phosphonic acid
Formula: C12H21N2O3PS
MolecularWeight: 304.345501
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCNCCSP(=O)(O)O


Isomeric SMILES

C1=CC=C(C=C1)CNCCCNCCSP(=O)(O)O


InChI

InChI=1S/C12H21N2O3PS/c15-18(16,17)19-10-9-13-7-4-8-14-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,15,16,17)


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