sodium 4-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexane-1-carboxylate Openeye Name: sodium 4-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexanecarboxylate CAS Name: sodium 4-[bis(1-aziridinyl)phosphinothioylamino]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[bis(aziridin-1-yl)phosphinothioylamino]cyclohexane-1-carboxylate Traditional Name: sodium 4-(diethyleniminothiophosphorylamino)cyclohexanecarboxylate Formula: C11H19N3NaO2PS MolecularWeight: 311.315991

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)[O-])NP(=S)(N2CC2)N3CC3.[Na+]

Isomeric SMILES

C1CC(CCC1C(=O)[O-])NP(=S)(N2CC2)N3CC3.[Na+]

InChI

InChI=1S/C11H20N3O2PS.Na/c15-11(16)9-1-3-10(4-2-9)12-17(18,13-5-6-13)14-7-8-14;/h9-10H,1-8H2,(H,12,18)(H,15,16);/q;+1/p-1