4-[2-(2-hydroxyethyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid

Systemtic Name: 4-[2-(2-hydroxyethyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-hydroxyethyl)-1,3-dioxo-benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2-hydroxyethyl)-1,3-dioxo-6-benzo[de]isoquinolinyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2-hydroxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(2-hydroxyethyl)-1,3-diketo-benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCO)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCO)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15NO7S/c23-11-10-22-19(24)15-3-1-2-14-17(9-8-16(18(14)15)20(22)25)30(28,29)13-6-4-12(5-7-13)21(26)27/h1-9,23H,10-11H2,(H,26,27)