disodium [3-[3-(2-phenoxyethoxy)spiro[1,2-dioxetane-4,2'-adamantane]-3-yl]phenyl] phosphate

Systemtic Name: disodium [3-[3-(2-phenoxyethoxy)spiro[1,2-dioxetane-4,2'-adamantane]-3-yl]phenyl] phosphate Openeye Name: disodium [3-[3'-(2-phenoxyethoxy)spiro[adamantane-2,4'-dioxetane]-3'-yl]phenyl] phosphate CAS Name: disodium [3-[3'-(2-phenoxyethoxy)-3'-spiro[adamantane-2,4'-dioxetane]yl]phenyl] phosphate IUPAC Name: disodium [3-[3'-(2-phenoxyethoxy)spiro[adamantane-2,4'-dioxetane]-3'-yl]phenyl] phosphate Traditional Name: disodium [3-[3'-(2-phenoxyethoxy)spiro[adamantane-2,4'-dioxetane]-3'-yl]phenyl] phosphate Formula: C25H27Na2O8P MolecularWeight: 532.430381

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C34C(OO4)(C5=CC(=CC=C5)OP(=O)([O-])[O-])OCCOC6=CC=CC=C6.[Na+].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)C34C(OO4)(C5=CC(=CC=C5)OP(=O)([O-])[O-])OCCOC6=CC=CC=C6.[Na+].[Na+]

InChI

InChI=1S/C25H29O8P.2Na/c26-34(27,28)31-23-8-4-5-19(16-23)25(30-10-9-29-22-6-2-1-3-7-22)24(32-33-25)20-12-17-11-18(14-20)15-21(24)13-17;;/h1-8,16-18,20-21H,9-15H2,(H2,26,27,28);;/q;2*+1/p-2