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

Systemtic Name: 2-(1H-indol-3-yl)-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[2-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dihydroxy-5-(1H-indol-3-yl)-1,4-benzoquinone CAS Name: 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[2-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dihydroxy-5-(1H-indol-3-yl)-p-benzoquinone Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O4/c1-4-27(2,3)26-19(15-10-6-8-12-18(15)29-26)21-24(32)22(30)20(23(31)25(21)33)16-13-28-17-11-7-5-9-14(16)17/h4-13,28-30,33H,1H2,2-3H3