[3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-propan-2-yloxy-1,2-dioxetan-3-yl]phenyl] dihydrogen phosphate

Systemtic Name: [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-propan-2-yloxy-1,2-dioxetan-3-yl]phenyl] dihydrogen phosphate Openeye Name: [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-isopropoxy-dioxetan-3-yl]phenyl] dihydrogen phosphate CAS Name: [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-propan-2-yloxy-3-dioxetanyl]phenyl] dihydrogen phosphate IUPAC Name: [3-[4-tert-butyl-4-(2,2-dimethylpropoxymethyl)-3-propan-2-yloxydioxetan-3-yl]phenyl] dihydrogen phosphate Traditional Name: [3-[4-tert-butyl-3-isopropoxy-4-(neopentyloxymethyl)dioxetan-3-yl]phenyl] dihydrogen phosphate Formula: C21H35O8P MolecularWeight: 446.471561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1(C(OO1)(COCC(C)(C)C)C(C)(C)C)C2=CC(=CC=C2)OP(=O)(O)O

Isomeric SMILES

CC(C)OC1(C(OO1)(COCC(C)(C)C)C(C)(C)C)C2=CC(=CC=C2)OP(=O)(O)O

InChI

InChI=1S/C21H35O8P/c1-15(2)26-21(16-10-9-11-17(12-16)27-30(22,23)24)20(28-29-21,19(6,7)8)14-25-13-18(3,4)5/h9-12,15H,13-14H2,1-8H3,(H2,22,23,24)