sodium 2-[2-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]ethylsulfanyl-oxidanyl-phosphinate

Systemtic Name: sodium 2-[2-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]ethylsulfanyl-oxidanyl-phosphinate Openeye Name: sodium 2-[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]ethylsulfanyl-hydroxy-phosphinate CAS Name: sodium [2-[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]ethylthio]-hydroxyphosphinate IUPAC Name: sodium 2-[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]ethylsulfanyl-hydroxyphosphinate Traditional Name: sodium [2-[2-[(3aR,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]ethylthio]-hydroxy-phosphinate Formula: C12H20N2NaO5PS MolecularWeight: 358.326131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCNCCSP(=O)(O)[O-].[Na+]

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCNCCSP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C12H21N2O5PS.Na/c15-11-9-3-1-2-4-10(9)12(16)14(11)7-5-13-6-8-21-20(17,18)19;/h9-10,13H,1-8H2,(H2,17,18,19);/q;+1/p-1/t9-,10+;