disodium [2-azanyl-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-oxidanyl-phosphinate heptahydrate

Systemtic Name: disodium [2-azanyl-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-oxidanyl-phosphinate heptahydrate Openeye Name: disodium [2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxy-phosphinate heptahydrate CAS Name: disodium [[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]thio]-hydroxyphosphinate heptahydrate IUPAC Name: disodium [2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate heptahydrate Traditional Name: disodium [[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]thio]-hydroxy-phosphinate heptahydrate Formula: C30H66N4Na2O13P2S2 MolecularWeight: 862.921102

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.O.O.O.O.O.O.O.[Na+].[Na+]

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.O.O.O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/2C15H27N2O3PS.2Na.7H2O/c2*1-13-3-11-4-14(2,7-13)9-15(5-11,8-13)10-17-12(16)6-22-21(18,19)20;;;;;;;;;/h2*11H,3-10H2,1-2H3,(H2,16,17)(H2,18,19,20);;;7*1H2/q;;2*+1;;;;;;;/p-2