10,10-bis(oxidanylidene)-3-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 10,10-dioxo-3-(2,2,4-trimethyl-6-trityl-quinoline-1-carbonyl)thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[2,2,4-trimethyl-6-(triphenylmethyl)-1-quinolinyl]methyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-(2,2,4-trimethyl-6-tritylquinoline-1-carbonyl)thioxanthen-9-one Traditional Name: 10,10-diketo-3-(2,2,4-trimethyl-6-trityl-quinoline-1-carbonyl)thioxanthen-9-one Formula: C45H35NO4S MolecularWeight: 685.8287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC7=C(C=C6)C(=O)C8=CC=CC=C8S7(=O)=O)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC7=C(C=C6)C(=O)C8=CC=CC=C8S7(=O)=O)(C)C

InChI

InChI=1S/C45H35NO4S/c1-30-29-44(2,3)46(43(48)31-23-25-37-41(27-31)51(49,50)40-22-14-13-21-36(40)42(37)47)39-26-24-35(28-38(30)39)45(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-29H,1-3H3