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

Systemtic Name: disodium [3-[4-tert-butyl-3-methoxy-4-(2-methoxyethoxymethyl)-1,2-dioxetan-3-yl]phenyl] phosphate Openeye Name: disodium [3-[4-tert-butyl-3-methoxy-4-(2-methoxyethoxymethyl)dioxetan-3-yl]phenyl] phosphate CAS Name: disodium [3-[4-tert-butyl-3-methoxy-4-(2-methoxyethoxymethyl)-3-dioxetanyl]phenyl] phosphate IUPAC Name: disodium [3-[4-tert-butyl-3-methoxy-4-(2-methoxyethoxymethyl)dioxetan-3-yl]phenyl] phosphate Traditional Name: disodium [3-[4-tert-butyl-3-methoxy-4-(2-methoxyethoxymethyl)dioxetan-3-yl]phenyl] phosphate Formula: C17H25Na2O9P MolecularWeight: 450.328301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C(OO1)(C2=CC(=CC=C2)OP(=O)([O-])[O-])OC)COCCOC.[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1(C(OO1)(C2=CC(=CC=C2)OP(=O)([O-])[O-])OC)COCCOC.[Na+].[Na+]

InChI

InChI=1S/C17H27O9P.2Na/c1-15(2,3)16(12-23-10-9-21-4)17(22-5,26-25-16)13-7-6-8-14(11-13)24-27(18,19)20;;/h6-8,11H,9-10,12H2,1-5H3,(H2,18,19,20);;/q;2*+1/p-2