3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium

Systemtic Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium Openeye Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium CAS Name: 3-[4-[bis(1-aziridinyl)phosphinothioylamino]phenyl]propanoic acid; sodium IUPAC Name: 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoic acid; sodium Traditional Name: 3-[4-(diethyleniminothiophosphorylamino)phenyl]propionic acid; sodium Formula: C13H18N3NaO2PS MolecularWeight: 334.329451

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)O)N3CC3.[Na]

Isomeric SMILES

C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)O)N3CC3.[Na]

InChI

InChI=1S/C13H18N3O2PS.Na/c17-13(18)6-3-11-1-4-12(5-2-11)14-19(20,15-7-8-15)16-9-10-16;/h1-2,4-5H,3,6-10H2,(H,14,20)(H,17,18);