tetrasodium 2-methylnaphthalene-1,4-diol diphosphate

Systemtic Name: tetrasodium 2-methylnaphthalene-1,4-diol diphosphate Openeye Name: tetrasodium 2-methylnaphthalene-1,4-diol diphosphate CAS Name: tetrasodium 2-methylnaphthalene-1,4-diol diphosphate IUPAC Name: tetrasodium 2-methylnaphthalene-1,4-diol diphosphate Traditional Name: tetrasodium menadiol diphosphate Formula: C11H10Na4O10P2-2 MolecularWeight: 456.097702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H10O2.4Na.2H3O4P/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;;;;;2*1-5(2,3)4/h2-6,12-13H,1H3;;;;;2*(H3,1,2,3,4)/q;4*+1;;/p-6