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

Systemtic Name: disodium [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-methoxy-1,2-dioxetan-3-yl]phenyl] phosphate Openeye Name: disodium [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-methoxy-dioxetan-3-yl]phenyl] phosphate CAS Name: disodium [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-methoxy-3-dioxetanyl]phenyl] phosphate IUPAC Name: disodium [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-methoxydioxetan-3-yl]phenyl] phosphate Traditional Name: disodium [3-[4-tert-butyl-3-methoxy-4-(neopentyloxymethyl)dioxetan-3-yl]phenyl] phosphate Formula: C19H29Na2O8P MolecularWeight: 462.382061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC1(C(OO1)(C2=CC(=CC=C2)OP(=O)([O-])[O-])OC)C(C)(C)C.[Na+].[Na+]

Isomeric SMILES

CC(C)(C)COCC1(C(OO1)(C2=CC(=CC=C2)OP(=O)([O-])[O-])OC)C(C)(C)C.[Na+].[Na+]

InChI

InChI=1S/C19H31O8P.2Na/c1-16(2,3)12-24-13-18(17(4,5)6)19(23-7,27-26-18)14-9-8-10-15(11-14)25-28(20,21)22;;/h8-11H,12-13H2,1-7H3,(H2,20,21,22);;/q;2*+1/p-2