8-(quinolin-4-ylamino)naphthalene-1,3,5-trisulfonic acid; sodium

Systemtic Name: 8-(quinolin-4-ylamino)naphthalene-1,3,5-trisulfonic acid; sodium Openeye Name: 8-(4-quinolylamino)naphthalene-1,3,5-trisulfonic acid; sodium CAS Name: 8-(4-quinolinylamino)naphthalene-1,3,5-trisulfonic acid; sodium IUPAC Name: 8-(quinolin-4-ylamino)naphthalene-1,3,5-trisulfonic acid; sodium Traditional Name: 8-(4-quinolylamino)naphthalene-1,3,5-trisulfonic acid; sodium Formula: C19H14N2NaO9S3 MolecularWeight: 533.50723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C19H14N2O9S3.Na/c22-31(23,24)11-9-13-17(32(25,26)27)6-5-16(19(13)18(10-11)33(28,29)30)21-15-7-8-20-14-4-2-1-3-12(14)15;/h1-10H,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);