tetrasodium [2-azanyl-2-(cyclooctylmethylimino)ethyl]sulfanyl-oxidanyl-phosphinate pentahydrate

Systemtic Name: tetrasodium [2-azanyl-2-(cyclooctylmethylimino)ethyl]sulfanyl-oxidanyl-phosphinate pentahydrate Openeye Name: tetrasodium [2-amino-2-(cyclooctylmethylimino)ethyl]sulfanyl-hydroxy-phosphinate pentahydrate CAS Name: tetrasodium [[2-amino-2-(cyclooctylmethylimino)ethyl]thio]-hydroxyphosphinate pentahydrate IUPAC Name: tetrasodium [2-amino-2-(cyclooctylmethylimino)ethyl]sulfanyl-hydroxyphosphinate pentahydrate Traditional Name: tetrasodium [[2-amino-2-(cyclooctylmethylimino)ethyl]thio]-hydroxy-phosphinate pentahydrate Formula: C44H98N8Na4O17P4S4 MolecularWeight: 1355.406444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C11H23N2O3PS.4Na.5H2O/c4*12-11(9-18-17(14,15)16)13-8-10-6-4-2-1-3-5-7-10;;;;;;;;;/h4*10H,1-9H2,(H2,12,13)(H2,14,15,16);;;;;5*1H2/q;;;;4*+1;;;;;/p-4