disodium [3-methoxy-5-(3-methoxyspiro[1,2-dioxetane-4,2'-adamantane]-3-yl)phenyl] phosphate

Systemtic Name: disodium [3-methoxy-5-(3-methoxyspiro[1,2-dioxetane-4,2'-adamantane]-3-yl)phenyl] phosphate Openeye Name: disodium [3-methoxy-5-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate CAS Name: disodium [3-methoxy-5-(3'-methoxy-3'-spiro[adamantane-2,4'-dioxetane]yl)phenyl] phosphate IUPAC Name: disodium [3-methoxy-5-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate Traditional Name: disodium [3-methoxy-5-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] phosphate Formula: C19H23Na2O8P MolecularWeight: 456.334421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2(C3(C4CC5CC(C4)CC3C5)OO2)OC)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1)C2(C3(C4CC5CC(C4)CC3C5)OO2)OC)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C19H25O8P.2Na/c1-23-16-8-15(9-17(10-16)25-28(20,21)22)19(24-2)18(26-27-19)13-4-11-3-12(6-13)7-14(18)5-11;;/h8-14H,3-7H2,1-2H3,(H2,20,21,22);;/q;2*+1/p-2