[4-chloranyl-2-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-2,4,5,7,9,10-hexahydroacridin-9-yl]phenyl] benzenesulfonate

Systemtic Name: [4-chloranyl-2-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-2,4,5,7,9,10-hexahydroacridin-9-yl]phenyl] benzenesulfonate Openeye Name: [4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] ester IUPAC Name: [4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-chloro-2-(1,8-diketo-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] ester Formula: C29H30ClNO5S MolecularWeight: 540.0702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C=CC(=C4)Cl)OS(=O)(=O)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C=CC(=C4)Cl)OS(=O)(=O)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C29H30ClNO5S/c1-28(2)13-20-26(22(32)15-28)25(27-21(31-20)14-29(3,4)16-23(27)33)19-12-17(30)10-11-24(19)36-37(34,35)18-8-6-5-7-9-18/h5-12,25,31H,13-16H2,1-4H3