3,6-bis(1H-indol-3-yl)-4-(3-methylbut-2-enyl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3,6-bis(1H-indol-3-yl)-4-(3-methylbut-2-enyl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-hydroxy-3,6-bis(1H-indol-3-yl)-5-(3-methylbut-2-enyl)-1,2-benzoquinone CAS Name: 4-hydroxy-3,6-bis(1H-indol-3-yl)-5-(3-methylbut-2-enyl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-hydroxy-3,6-bis(1H-indol-3-yl)-5-(3-methylbut-2-enyl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-hydroxy-3,6-bis(1H-indol-3-yl)-5-(3-methylbut-2-enyl)-o-benzoquinone Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-30H,12H2,1-2H3