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

Systemtic Name: 3,6-bis(2-tert-butyl-1H-indol-3-yl)-4-chloranyl-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3,6-bis(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxy-1,2-benzoquinone CAS Name: 3,6-bis(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 3,6-bis(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxycyclohexa-3,5-diene-1,2-dione Traditional Name: 3,6-bis(2-tert-butyl-1H-indol-3-yl)-4-chloro-5-hydroxy-o-benzoquinone Formula: C30H29ClN2O3 MolecularWeight: 501.01586

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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=C(NC5=CC=CC=C54)C(C)(C)C)Cl)O

Isomeric SMILES

CC(C)(C)C1=C(C2=CC=CC=C2N1)C3=C(C(=C(C(=O)C3=O)C4=C(NC5=CC=CC=C54)C(C)(C)C)Cl)O

InChI

InChI=1S/C30H29ClN2O3/c1-29(2,3)27-19(15-11-7-9-13-17(15)32-27)21-23(31)24(34)22(26(36)25(21)35)20-16-12-8-10-14-18(16)33-28(20)30(4,5)6/h7-14,32-34H,1-6H3