2-tert-butyl-3,6-bis(oxidanyl)-5-(5-phenethyl-4-phenyl-1H-pyrrol-3-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-tert-butyl-3,6-bis(oxidanyl)-5-(5-phenethyl-4-phenyl-1H-pyrrol-3-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-tert-butyl-3,6-dihydroxy-5-(5-phenethyl-4-phenyl-1H-pyrrol-3-yl)-1,4-benzoquinone CAS Name: 2-tert-butyl-3,6-dihydroxy-5-(5-phenethyl-4-phenyl-1H-pyrrol-3-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-tert-butyl-3,6-dihydroxy-5-(5-phenethyl-4-phenyl-1H-pyrrol-3-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-tert-butyl-3,6-dihydroxy-5-(5-phenethyl-4-phenyl-1H-pyrrol-3-yl)-p-benzoquinone Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)C(=C(C1=O)O)C2=CNC(=C2C3=CC=CC=C3)CCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=O)C(=C(C1=O)O)C2=CNC(=C2C3=CC=CC=C3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C28H27NO4/c1-28(2,3)23-26(32)24(30)22(25(31)27(23)33)19-16-29-20(15-14-17-10-6-4-7-11-17)21(19)18-12-8-5-9-13-18/h4-13,16,29-30,33H,14-15H2,1-3H3