(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4-trimethyl-6-trityl-1-quinolyl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-6-(triphenylmethyl)-1-quinolinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-6-tritylquinolin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4-trimethyl-6-trityl-1-quinolyl)methanone Formula: C40H31ClN2O3S MolecularWeight: 655.20374

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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=C(C7=C(S6)C=C(C=C7)[N+](=O)[O-])Cl)(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=C(C7=C(S6)C=C(C=C7)[N+](=O)[O-])Cl)(C)C

InChI

InChI=1S/C40H31ClN2O3S/c1-26-25-39(2,3)42(38(44)37-36(41)32-21-20-31(43(45)46)24-35(32)47-37)34-22-19-30(23-33(26)34)40(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-25H,1-3H3