sodium [2-methyl-4-[1-(3-methyl-4-oxidanyl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] phosphate

Systemtic Name: sodium [2-methyl-4-[1-(3-methyl-4-oxidanyl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] phosphate Openeye Name: sodium [4-[1-(4-hydroxy-3-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]-2-methyl-phenyl] phosphate CAS Name: sodium [4-[1-(4-hydroxy-3-methylphenyl)-3-oxo-1-isobenzofuranyl]-2-methylphenyl] phosphate IUPAC Name: sodium [4-[1-(4-hydroxy-3-methylphenyl)-3-oxo-2-benzofuran-1-yl]-2-methylphenyl] phosphate Traditional Name: sodium [4-[1-(4-hydroxy-3-methyl-phenyl)-3-keto-phthalan-1-yl]-2-methyl-phenyl] phosphate Formula: C22H17NaO7P- MolecularWeight: 447.329711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)OP(=O)([O-])[O-])C)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)OP(=O)([O-])[O-])C)O.[Na+]

InChI

InChI=1S/C22H19O7P.Na/c1-13-11-15(7-9-19(13)23)22(18-6-4-3-5-17(18)21(24)28-22)16-8-10-20(14(2)12-16)29-30(25,26)27;/h3-12,23H,1-2H3,(H2,25,26,27);/q;+1/p-2