disodium [2-(1-adamantyloxy)-3-(1,2-dioxetan-3-yl)phenyl] phosphate

Systemtic Name: disodium [2-(1-adamantyloxy)-3-(1,2-dioxetan-3-yl)phenyl] phosphate Openeye Name: disodium [2-(1-adamantyloxy)-3-(dioxetan-3-yl)phenyl] phosphate CAS Name: disodium [2-(1-adamantyloxy)-3-(3-dioxetanyl)phenyl] phosphate IUPAC Name: disodium [2-(1-adamantyloxy)-3-(dioxetan-3-yl)phenyl] phosphate Traditional Name: disodium [2-(1-adamantyloxy)-3-(dioxetan-3-yl)phenyl] phosphate Formula: C18H21Na2O7P MolecularWeight: 426.308441

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC4=C(C=CC=C4OP(=O)([O-])[O-])C5COO5.[Na+].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC4=C(C=CC=C4OP(=O)([O-])[O-])C5COO5.[Na+].[Na+]

InChI

InChI=1S/C18H23O7P.2Na/c19-26(20,21)25-15-3-1-2-14(16-10-22-24-16)17(15)23-18-7-11-4-12(8-18)6-13(5-11)9-18;;/h1-3,11-13,16H,4-10H2,(H2,19,20,21);;/q;2*+1/p-2