tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-chloranyl-propanedioate

Systemtic Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-chloranyl-propanedioate Openeye Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-chloro-propanedioate CAS Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-chloropropanedioate IUPAC Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-chloropropanedioate Traditional Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphatophenyl)methoxy]ethyl]-2-chloro-malonate Formula: C22H22ClNa4O9P MolecularWeight: 588.790521

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=C(C4=CC(=CC=C4)OP(=O)([O-])[O-])OCCC(C(=O)[O-])(C(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=C(C4=CC(=CC=C4)OP(=O)([O-])[O-])OCCC(C(=O)[O-])(C(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H26ClO9P.4Na/c23-22(20(24)25,21(26)27)4-5-31-19(14-2-1-3-17(11-14)32-33(28,29)30)18-15-7-12-6-13(9-15)10-16(18)8-12;;;;/h1-3,11-13,15-16H,4-10H2,(H,24,25)(H,26,27)(H2,28,29,30);;;;/q;4*+1/p-4