8-(quinolin-4-ylamino)naphthalene-1,3,6-trisulfonic acid; sodium

Systemtic Name: 8-(quinolin-4-ylamino)naphthalene-1,3,6-trisulfonic acid; sodium Openeye Name: 8-(4-quinolylamino)naphthalene-1,3,6-trisulfonic acid; sodium CAS Name: 8-(4-quinolinylamino)naphthalene-1,3,6-trisulfonic acid; sodium IUPAC Name: 8-(quinolin-4-ylamino)naphthalene-1,3,6-trisulfonic acid; sodium Traditional Name: 8-(4-quinolylamino)naphthalene-1,3,6-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(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

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