disodium [5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-6-yl] phosphate

Systemtic Name: disodium [5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-6-yl] phosphate Openeye Name: disodium (5,7-dihydroxy-4-oxo-2-phenyl-chromen-6-yl) phosphate CAS Name: disodium (5,7-dihydroxy-4-oxo-2-phenyl-1-benzopyran-6-yl) phosphate IUPAC Name: disodium (5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl) phosphate Traditional Name: disodium (5,7-dihydroxy-4-keto-2-phenyl-chromen-6-yl) phosphate Formula: C15H9Na2O8P MolecularWeight: 394.180461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C15H11O8P.2Na/c16-9-6-11(8-4-2-1-3-5-8)22-12-7-10(17)15(14(18)13(9)12)23-24(19,20)21;;/h1-7,17-18H,(H2,19,20,21);;/q;2*+1/p-2