[4-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenyl] ester IUPAC Name: [4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-(1,8-diketo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenyl] ester Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1

InChI

InChI=1S/C25H22ClNO5S/c26-16-9-13-18(14-10-16)33(30,31)32-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)28)27-20-4-2-6-22(29)25(20)23/h7-14,23,27H,1-6H2