sodium 3-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzenesulfonate

Systemtic Name: sodium 3-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzenesulfonate Openeye Name: sodium 3-(5-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)-4-chloro-benzenesulfonate CAS Name: sodium 3-(5-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)-4-chlorobenzenesulfonate IUPAC Name: sodium 3-(5-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-4-chlorobenzenesulfonate Traditional Name: sodium 3-(5-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)-4-chloro-besylate Formula: C18H8BrClNNaO5S MolecularWeight: 488.67159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])Cl)Br.[Na+]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])Cl)Br.[Na+]

InChI

InChI=1S/C18H9BrClNO5S.Na/c19-10-6-9-2-1-3-12-16(9)13(7-10)18(23)21(17(12)22)15-8-11(27(24,25)26)4-5-14(15)20;/h1-8H,(H,24,25,26);/q;+1/p-1