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

Systemtic Name: disodium [3-(1,2-dioxetan-3-yl)phenyl] 2-methoxyethoxymethyl phosphate Openeye Name: disodium [3-(dioxetan-3-yl)phenyl] 2-methoxyethoxymethyl phosphate CAS Name: disodium [3-(3-dioxetanyl)phenyl] 2-methoxyethoxymethyl phosphate IUPAC Name: disodium [3-(dioxetan-3-yl)phenyl] 2-methoxyethoxymethyl phosphate Traditional Name: disodium [3-(dioxetan-3-yl)phenyl] 2-methoxyethoxymethyl phosphate Formula: C24H32Na2O16P2 MolecularWeight: 684.428342

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOP(=O)([O-])OC1=CC=CC(=C1)C2COO2.COCCOCOP(=O)([O-])OC1=CC=CC(=C1)C2COO2.[Na+].[Na+]

Isomeric SMILES

COCCOCOP(=O)([O-])OC1=CC=CC(=C1)C2COO2.COCCOCOP(=O)([O-])OC1=CC=CC(=C1)C2COO2.[Na+].[Na+]

InChI

InChI=1S/2C12H17O8P.2Na/c2*1-15-5-6-16-9-18-21(13,14)20-11-4-2-3-10(7-11)12-8-17-19-12;;/h2*2-4,7,12H,5-6,8-9H2,1H3,(H,13,14);;/q;;2*+1/p-2