8-[(7-chloranylquinolin-4-yl)amino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(7-chloranylquinolin-4-yl)amino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(7-chloro-4-quinolyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[(7-chloro-4-quinolinyl)amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(7-chloroquinolin-4-yl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(7-chloro-4-quinolyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C19H13ClN2O9S3 MolecularWeight: 544.96252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H13ClN2O9S3/c20-11-1-2-14-15(3-4-21-16(14)7-11)22-17-8-12(32(23,24)25)5-10-6-13(33(26,27)28)9-18(19(10)17)34(29,30)31/h1-9H,(H,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)