tetrasodium 2-[2-[3-(3-phosphonatooxyphenyl)spiro[1,2-dioxetane-4,2'-adamantane]-3-yl]oxyethyl]propanedioate

Systemtic Name: tetrasodium 2-[2-[3-(3-phosphonatooxyphenyl)spiro[1,2-dioxetane-4,2'-adamantane]-3-yl]oxyethyl]propanedioate Openeye Name: tetrasodium 2-[2-[3'-(3-phosphonatooxyphenyl)spiro[adamantane-2,4'-dioxetane]-3'-yl]oxyethyl]propanedioate CAS Name: tetrasodium 2-[2-[[3'-(3-phosphonatooxyphenyl)-3'-spiro[adamantane-2,4'-dioxetane]yl]oxy]ethyl]propanedioate IUPAC Name: tetrasodium 2-[2-[3'-(3-phosphonatooxyphenyl)spiro[adamantane-2,4'-dioxetane]-3'-yl]oxyethyl]propanedioate Traditional Name: tetrasodium 2-[2-[3'-(3-phosphatophenyl)spiro[adamantane-2,4'-dioxetane]-3'-yl]oxyethyl]malonate Formula: C22H23Na4O11P MolecularWeight: 586.344261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C34C(OO4)(C5=CC(=CC=C5)OP(=O)([O-])[O-])OCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)C34C(OO4)(C5=CC(=CC=C5)OP(=O)([O-])[O-])OCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H27O11P.4Na/c23-19(24)18(20(25)26)4-5-30-22(14-2-1-3-17(11-14)31-34(27,28)29)21(32-33-22)15-7-12-6-13(9-15)10-16(21)8-12;;;;/h1-3,11-13,15-16,18H,4-10H2,(H,23,24)(H,25,26)(H2,27,28,29);;;;/q;4*+1/p-4