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

Systemtic Name: 2,5-bis(2-butyl-1H-indol-3-yl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(2-butyl-1H-indol-3-yl)-3,6-dihydroxy-1,4-benzoquinone CAS Name: 2,5-bis(2-butyl-1H-indol-3-yl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(2-butyl-1H-indol-3-yl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis(2-butyl-1H-indol-3-yl)-3,6-dihydroxy-p-benzoquinone Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)CCCC)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)CCCC)O

InChI

InChI=1S/C30H30N2O4/c1-3-5-13-21-23(17-11-7-9-15-19(17)31-21)25-27(33)29(35)26(30(36)28(25)34)24-18-12-8-10-16-20(18)32-22(24)14-6-4-2/h7-12,15-16,31-33,36H,3-6,13-14H2,1-2H3