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

Systemtic Name: [4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-2,4,5,7,9,10-hexahydroacridin-9-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] ester IUPAC Name: [4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1,8-diketo-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl] ester Formula: C30H33NO5S MolecularWeight: 519.65172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)NC5=C3C(=O)CC(C5)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)NC5=C3C(=O)CC(C5)(C)C

InChI

InChI=1S/C30H33NO5S/c1-18-6-12-21(13-7-18)37(34,35)36-20-10-8-19(9-11-20)26-27-22(14-29(2,3)16-24(27)32)31-23-15-30(4,5)17-25(33)28(23)26/h6-13,26,31H,14-17H2,1-5H3