3-(2-tert-butyl-1H-indol-3-yl)-4-chloranyl-6-(1H-indol-3-yl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-(2-tert-butyl-1H-indol-3-yl)-4-chloranyl-6-(1H-indol-3-yl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxy-6-(1H-indol-3-yl)-1,2-benzoquinone CAS Name: 3-(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxy-6-(1H-indol-3-yl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxy-6-(1H-indol-3-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 3-(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxy-6-(1H-indol-3-yl)-o-benzoquinone Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=CC=CC=C2N1)C3=C(C(=C(C(=O)C3=O)C4=CNC5=CC=CC=C54)O)Cl

Isomeric SMILES

CC(C)(C)C1=C(C2=CC=CC=C2N1)C3=C(C(=C(C(=O)C3=O)C4=CNC5=CC=CC=C54)O)Cl

InChI

InChI=1S/C26H21ClN2O3/c1-26(2,3)25-18(14-9-5-7-11-17(14)29-25)20-21(27)22(30)19(23(31)24(20)32)15-12-28-16-10-6-4-8-13(15)16/h4-12,28-30H,1-3H3