sodium 1-carboxy-2-(2-hydroxyphenyl)benzo[f]quinoline-7-sulfonate

Systemtic Name: sodium 1-carboxy-2-(2-hydroxyphenyl)benzo[f]quinoline-7-sulfonate Openeye Name: sodium 1-carboxy-2-(2-hydroxyphenyl)benzo[f]quinoline-7-sulfonate CAS Name: sodium 1-carboxy-2-(2-hydroxyphenyl)-7-benzo[f]quinolinesulfonate IUPAC Name: sodium 1-carboxy-2-(2-hydroxyphenyl)benzo[f]quinoline-7-sulfonate Traditional Name: sodium 1-carboxy-2-(2-hydroxyphenyl)benzo[f]quinoline-7-sulfonate Formula: C20H12NNaO6S MolecularWeight: 417.36715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CN=C3C=CC4=C(C3=C2C(=O)O)C=CC=C4S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CN=C3C=CC4=C(C3=C2C(=O)O)C=CC=C4S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H13NO6S.Na/c22-16-6-2-1-4-11(16)14-10-21-15-9-8-12-13(18(15)19(14)20(23)24)5-3-7-17(12)28(25,26)27;/h1-10,22H,(H,23,24)(H,25,26,27);/q;+1/p-1