disodium [4-(2-phenylpropan-2-yl)phenyl] (4-phosphonooxyphenyl) hydrogen phosphate

Systemtic Name: disodium [4-(2-phenylpropan-2-yl)phenyl] (4-phosphonooxyphenyl) hydrogen phosphate Openeye Name: disodium [4-(1-methyl-1-phenyl-ethyl)phenyl] (4-phosphonooxyphenyl) hydrogen phosphate CAS Name: disodium [4-(2-phenylpropan-2-yl)phenyl] (4-phosphonooxyphenyl) hydrogen phosphate IUPAC Name: disodium [4-(2-phenylpropan-2-yl)phenyl] (4-phosphonooxyphenyl) hydrogen phosphate Traditional Name: disodium (4-cumylphenyl) (4-phosphonooxyphenyl) hydrogen phosphate Formula: C21H22Na2O8P2+2 MolecularWeight: 510.321642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OP(=O)(O)OC3=CC=C(C=C3)OP(=O)(O)O.[Na+].[Na+]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OP(=O)(O)OC3=CC=C(C=C3)OP(=O)(O)O.[Na+].[Na+]

InChI

InChI=1S/C21H22O8P2.2Na/c1-21(2,16-6-4-3-5-7-16)17-8-10-19(11-9-17)28-31(25,26)29-20-14-12-18(13-15-20)27-30(22,23)24;;/h3-15H,1-2H3,(H,25,26)(H2,22,23,24);;/q;2*+1