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

Systemtic Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-methyl-propanedioate Openeye Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-methyl-propanedioate CAS Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-methylpropanedioate IUPAC Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphonatooxyphenyl)methoxy]ethyl]-2-methylpropanedioate Traditional Name: tetrasodium 2-[2-[2-adamantylidene-(3-phosphatophenyl)methoxy]ethyl]-2-methyl-malonate Formula: C23H25Na4O9P MolecularWeight: 568.372041

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)OP(=O)([O-])[O-])(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC=C4)OP(=O)([O-])[O-])(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H29O9P.4Na/c1-23(21(24)25,22(26)27)5-6-31-20(15-3-2-4-18(12-15)32-33(28,29)30)19-16-8-13-7-14(10-16)11-17(19)9-13;;;;/h2-4,12-14,16-17H,5-11H2,1H3,(H,24,25)(H,26,27)(H2,28,29,30);;;;/q;4*+1/p-4