[9-chloranyl-5,10-bis(oxidanylidene)benzo[g]isoquinolin-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-chloranyl-5,10-bis(oxidanylidene)benzo[g]isoquinolin-6-yl] 4-methylbenzenesulfonate Openeye Name: (9-chloro-5,10-dioxo-benzo[g]isoquinolin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-chloro-5,10-dioxo-6-benzo[g]isoquinolinyl) ester IUPAC Name: (9-chloro-5,10-dioxobenzo[g]isoquinolin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-chloro-5,10-diketo-benz[g]isoquinolin-6-yl) ester Formula: C20H12ClNO5S MolecularWeight: 413.83098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C(=O)C4=C(C3=O)C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C(=O)C4=C(C3=O)C=CN=C4

InChI

InChI=1S/C20H12ClNO5S/c1-11-2-4-12(5-3-11)28(25,26)27-16-7-6-15(21)17-18(16)19(23)13-8-9-22-10-14(13)20(17)24/h2-10H,1H3