disodium (4-methyl-2-oxidanylidene-chromen-7-yl) phosphate trihydrate

Systemtic Name: disodium (4-methyl-2-oxidanylidene-chromen-7-yl) phosphate trihydrate Openeye Name: disodium (4-methyl-2-oxo-chromen-7-yl) phosphate trihydrate CAS Name: disodium (4-methyl-2-oxo-1-benzopyran-7-yl) phosphate trihydrate IUPAC Name: disodium (4-methyl-2-oxochromen-7-yl) phosphate trihydrate Traditional Name: disodium (2-keto-4-methyl-chromen-7-yl) phosphate trihydrate Formula: C10H13Na2O9P MolecularWeight: 354.158121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)([O-])[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)([O-])[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C10H9O6P.2Na.3H2O/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;;;;;/h2-5H,1H3,(H2,12,13,14);;;3*1H2/q;2*+1;;;/p-2