bis[3-[[3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-yl]oxy]-5-nitro-phenyl]methanone

Systemtic Name: bis[3-[[3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-yl]oxy]-5-nitro-phenyl]methanone Openeye Name: bis[3-[3-(4-hydroxyphenyl)-1,1,3-trimethyl-indan-5-yl]oxy-5-nitro-phenyl]methanone CAS Name: bis[3-[[3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-yl]oxy]-5-nitrophenyl]methanone IUPAC Name: bis[3-[[3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-yl]oxy]-5-nitrophenyl]methanone Traditional Name: bis[3-[3-(4-hydroxyphenyl)-1,1,3-trimethyl-indan-5-yl]oxy-5-nitro-phenyl]methanone Formula: C49H44N2O9 MolecularWeight: 804.88166

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C1C=CC(=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])C(=O)C4=CC(=CC(=C4)OC5=CC6=C(C=C5)C(CC6(C)C7=CC=C(C=C7)O)(C)C)[N+](=O)[O-])(C)C8=CC=C(C=C8)O)C

Isomeric SMILES

CC1(CC(C2=C1C=CC(=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])C(=O)C4=CC(=CC(=C4)OC5=CC6=C(C=C5)C(CC6(C)C7=CC=C(C=C7)O)(C)C)[N+](=O)[O-])(C)C8=CC=C(C=C8)O)C

InChI

InChI=1S/C49H44N2O9/c1-46(2)27-48(5,31-7-11-35(52)12-8-31)43-25-37(15-17-41(43)46)59-39-21-29(19-33(23-39)50(55)56)45(54)30-20-34(51(57)58)24-40(22-30)60-38-16-18-42-44(26-38)49(6,28-47(42,3)4)32-9-13-36(53)14-10-32/h7-26,52-53H,27-28H2,1-6H3