3-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid

Systemtic Name: 3-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid Openeye Name: 3-(5,8-diacetyl-6-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzenesulfonic acid CAS Name: 3-(5,8-diacetyl-6-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)benzenesulfonic acid IUPAC Name: 3-(5,8-diacetyl-6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonic acid Traditional Name: 3-(5,8-diacetyl-6-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)besylic acid Formula: C22H16N2O7S MolecularWeight: 452.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C3C(=C1)C(=C(C=C3C(=O)N(C2=O)C4=CC(=CC=C4)S(=O)(=O)O)C(=O)C)N

Isomeric SMILES

CC(=O)C1=CC2=C3C(=C1)C(=C(C=C3C(=O)N(C2=O)C4=CC(=CC=C4)S(=O)(=O)O)C(=O)C)N

InChI

InChI=1S/C22H16N2O7S/c1-10(25)12-6-16-19-17(7-12)21(27)24(13-4-3-5-14(8-13)32(29,30)31)22(28)18(19)9-15(11(2)26)20(16)23/h3-9H,23H2,1-2H3,(H,29,30,31)