sodium 4-carboxy-2-(4-methoxyphenyl)-5-oxidanylidene-1H-benzo[h]quinoline-7-sulfonate

Systemtic Name: sodium 4-carboxy-2-(4-methoxyphenyl)-5-oxidanylidene-1H-benzo[h]quinoline-7-sulfonate Openeye Name: sodium 4-carboxy-2-(4-methoxyphenyl)-5-oxo-1H-benzo[h]quinoline-7-sulfonate CAS Name: sodium 4-carboxy-2-(4-methoxyphenyl)-5-oxo-1H-benzo[h]quinoline-7-sulfonate IUPAC Name: sodium 4-carboxy-2-(4-methoxyphenyl)-5-oxo-1H-benzo[h]quinoline-7-sulfonate Traditional Name: sodium 4-carboxy-5-keto-2-(4-methoxyphenyl)-1H-benzo[h]quinoline-7-sulfonate Formula: C21H14NNaO7S MolecularWeight: 447.39313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=O)C=C4C(=C3N2)C=CC=C4S(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C(=O)C=C4C(=C3N2)C=CC=C4S(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C21H15NO7S.Na/c1-29-12-7-5-11(6-8-12)16-9-15(21(24)25)19-17(23)10-14-13(20(19)22-16)3-2-4-18(14)30(26,27)28;/h2-10,22H,1H3,(H,24,25)(H,26,27,28);/q;+1/p-1