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

Systemtic Name: trisodium 8-[(7-chloranylquinolin-4-yl)amino]naphthalene-1,3,6-trisulfonate Openeye Name: trisodium 8-[(7-chloro-4-quinolyl)amino]naphthalene-1,3,6-trisulfonate CAS Name: trisodium 8-[(7-chloro-4-quinolinyl)amino]naphthalene-1,3,6-trisulfonate IUPAC Name: trisodium 8-[(7-chloroquinolin-4-yl)amino]naphthalene-1,3,6-trisulfonate Traditional Name: trisodium 8-[(7-chloro-4-quinolyl)amino]naphthalene-1,3,6-trisulfonate Formula: C19H10ClN2Na3O9S3 MolecularWeight: 610.90801

Click to see the large picture

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-].[Na+].[Na+].[Na+]

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-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H13ClN2O9S3.3Na/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);;;/q;3*+1/p-3