sodium 3-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzenesulfonate

Systemtic Name: sodium 3-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzenesulfonate Openeye Name: sodium 3-(6-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)-4-chloro-benzenesulfonate CAS Name: sodium 3-(6-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)-4-chlorobenzenesulfonate IUPAC Name: sodium 3-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-4-chlorobenzenesulfonate Traditional Name: sodium 3-(6-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)-4-chloro-besylate Formula: C18H8BrClNNaO5S MolecularWeight: 488.67159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC2=C(C=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/c19-13-6-5-12-16-10(13)2-1-3-11(16)17(22)21(18(12)23)15-8-9(27(24,25)26)4-7-14(15)20;/h1-8H,(H,24,25,26);/q;+1/p-1