2-tert-butyl-7-(2,6-dimethyl-8-oxidanyl-octan-2-yl)anthracene-9,10-dione

Systemtic Name: 2-tert-butyl-7-(2,6-dimethyl-8-oxidanyl-octan-2-yl)anthracene-9,10-dione Openeye Name: 2-tert-butyl-7-(7-hydroxy-1,1,5-trimethyl-heptyl)anthracene-9,10-dione CAS Name: 2-tert-butyl-7-(8-hydroxy-2,6-dimethyloctan-2-yl)anthracene-9,10-dione IUPAC Name: 2-tert-butyl-7-(8-hydroxy-2,6-dimethyloctan-2-yl)anthracene-9,10-dione Traditional Name: 2-tert-butyl-7-(7-hydroxy-1,1,5-trimethyl-heptyl)-9,10-anthraquinone Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C)CCO

Isomeric SMILES

CC(CCCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C)CCO

InChI

InChI=1S/C28H36O3/c1-18(13-15-29)8-7-14-28(5,6)20-10-12-22-24(17-20)26(31)23-16-19(27(2,3)4)9-11-21(23)25(22)30/h9-12,16-18,29H,7-8,13-15H2,1-6H3