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

Systemtic Name: disodium [3-(3-methoxyspiro[1,2-dioxetane-4,2'-adamantane]-3-yl)phenyl] phosphate Openeye Name: disodium [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate CAS Name: disodium [3-(3'-methoxy-3'-spiro[adamantane-2,4'-dioxetane]yl)phenyl] phosphate IUPAC Name: disodium [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate Traditional Name: disodium [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate Formula: C18H21Na2O7P MolecularWeight: 426.308441

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C18H23O7P.2Na/c1-22-18(13-3-2-4-16(10-13)23-26(19,20)21)17(24-25-18)14-6-11-5-12(8-14)9-15(17)7-11;;/h2-4,10-12,14-15H,5-9H2,1H3,(H2,19,20,21);;/q;2*+1/p-2