4-[5-acetamido-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-acetamido-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid Openeye Name: 4-(5-acetamido-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzenesulfonic acid CAS Name: 4-(5-acetamido-1,3-dioxo-2-benzo[de]isoquinolinyl)benzenesulfonic acid IUPAC Name: 4-(5-acetamido-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonic acid Traditional Name: 4-(5-acetamido-1,3-diketo-benzo[de]isoquinolin-2-yl)besylic acid Formula: C20H14N2O6S MolecularWeight: 410.39996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H14N2O6S/c1-11(23)21-13-9-12-3-2-4-16-18(12)17(10-13)20(25)22(19(16)24)14-5-7-15(8-6-14)29(26,27)28/h2-10H,1H3,(H,21,23)(H,26,27,28)