4-[bis[5-(3,5-ditert-butylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]benzaldehyde

Systemtic Name: 4-[bis[5-(3,5-ditert-butylphenyl)carbonyl-1H-pyrrol-2-yl]methyl]benzaldehyde Openeye Name: 4-[bis[5-(3,5-ditert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]benzaldehyde CAS Name: 4-[bis[5-[(3,5-ditert-butylphenyl)-oxomethyl]-1H-pyrrol-2-yl]methyl]benzaldehyde IUPAC Name: 4-[bis[5-(3,5-ditert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]benzaldehyde Traditional Name: 4-[bis[5-(3,5-ditert-butylbenzoyl)-1H-pyrrol-2-yl]methyl]benzaldehyde Formula: C46H54N2O3 MolecularWeight: 682.93256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)C2=CC=C(N2)C(C3=CC=C(C=C3)C=O)C4=CC=C(N4)C(=O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)C2=CC=C(N2)C(C3=CC=C(C=C3)C=O)C4=CC=C(N4)C(=O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C46H54N2O3/c1-43(2,3)32-21-30(22-33(25-32)44(4,5)6)41(50)38-19-17-36(47-38)40(29-15-13-28(27-49)14-16-29)37-18-20-39(48-37)42(51)31-23-34(45(7,8)9)26-35(24-31)46(10,11)12/h13-27,40,47-48H,1-12H3