2-[1-[6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4-bis(oxidanyl)-3-(phenylcarbonyl)phenyl]-3-methyl-butyl]-3-methoxy-6-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-[1-[6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4-bis(oxidanyl)-3-(phenylcarbonyl)phenyl]-3-methyl-butyl]-3-methoxy-6-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2-[1-[3-benzoyl-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4-dihydroxy-phenyl]-3-methyl-butyl]-1,8-dihydroxy-3-methoxy-6-methyl-anthracene-9,10-dione CAS Name: 2-[1-[3-benzoyl-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4-dihydroxyphenyl]-3-methylbutyl]-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione IUPAC Name: 2-[1-[3-benzoyl-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4-dihydroxyphenyl]-3-methylbutyl]-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione Traditional Name: 2-[1-[3-benzoyl-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,4-dihydroxy-phenyl]-3-methyl-butyl]-1,8-dihydroxy-3-methoxy-6-methyl-9,10-anthraquinone Formula: C44H46O9 MolecularWeight: 718.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C(CC(C)C)C4=C(C=C(C(=C4O)C(=O)C5=CC=CC=C5)O)OCC=C(C)CCC=C(C)C)OC)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C(CC(C)C)C4=C(C=C(C(=C4O)C(=O)C5=CC=CC=C5)O)OC/C=C(\C)/CCC=C(C)C)OC)O

InChI

InChI=1S/C44H46O9/c1-23(2)12-11-13-25(5)16-17-53-34-22-32(46)39(40(47)27-14-9-8-10-15-27)44(51)37(34)28(18-24(3)4)36-33(52-7)21-30-38(43(36)50)42(49)35-29(41(30)48)19-26(6)20-31(35)45/h8-10,12,14-16,19-22,24,28,45-46,50-51H,11,13,17-18H2,1-7H3/b25-16+