disodium 3-methylbenzo[f]quinoline-7,9-disulfonate

Systemtic Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate Openeye Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate CAS Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate IUPAC Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate Traditional Name: disodium 3-methylbenzo[f]quinoline-7,9-disulfonate Formula: C14H9NNa2O6S2 MolecularWeight: 397.3339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(C=C1)C3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H11NO6S2.2Na/c1-8-2-3-10-12-6-9(22(16,17)18)7-14(23(19,20)21)11(12)4-5-13(10)15-8;;/h2-7H,1H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2