disodium [3-[4-tert-butyl-4-(ethoxymethyl)-3-methoxy-1,2-dioxetan-3-yl]phenyl] phosphate

Systemtic Name: disodium [3-[4-tert-butyl-4-(ethoxymethyl)-3-methoxy-1,2-dioxetan-3-yl]phenyl] phosphate Openeye Name: disodium [3-[4-tert-butyl-4-(ethoxymethyl)-3-methoxy-dioxetan-3-yl]phenyl] phosphate CAS Name: disodium [3-[4-tert-butyl-4-(ethoxymethyl)-3-methoxy-3-dioxetanyl]phenyl] phosphate IUPAC Name: disodium [3-[4-tert-butyl-4-(ethoxymethyl)-3-methoxydioxetan-3-yl]phenyl] phosphate Traditional Name: disodium [3-[4-tert-butyl-4-(ethoxymethyl)-3-methoxy-dioxetan-3-yl]phenyl] phosphate Formula: C16H23Na2O8P MolecularWeight: 420.302321

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1(C(OO1)(C2=CC(=CC=C2)OP(=O)([O-])[O-])OC)C(C)(C)C.[Na+].[Na+]

Isomeric SMILES

CCOCC1(C(OO1)(C2=CC(=CC=C2)OP(=O)([O-])[O-])OC)C(C)(C)C.[Na+].[Na+]

InChI

InChI=1S/C16H25O8P.2Na/c1-6-21-11-15(14(2,3)4)16(20-5,24-23-15)12-8-7-9-13(10-12)22-25(17,18)19;;/h7-10H,6,11H2,1-5H3,(H2,17,18,19);;/q;2*+1/p-2