8-[(2-methylquinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(2-methylquinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(2-methyl-4-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[(2-methyl-4-quinolinyl)amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(2-methylquinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(2-methyl-4-quinolyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C20H16N2O9S3 MolecularWeight: 524.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H16N2O9S3/c1-11-8-17(13-4-2-3-5-15(13)21-11)22-16-6-7-18(33(26,27)28)14-9-12(32(23,24)25)10-19(20(14)16)34(29,30)31/h2-10H,1H3,(H,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)