1,8-dimethoxy-2-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]anthracene-9,10-dione

Systemtic Name: 1,8-dimethoxy-2-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]anthracene-9,10-dione Openeye Name: 2-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-1,8-dimethoxy-anthracene-9,10-dione CAS Name: 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,8-dimethoxyanthracene-9,10-dione IUPAC Name: 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,8-dimethoxyanthracene-9,10-dione Traditional Name: 2-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-1,8-dimethoxy-9,10-anthraquinone Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C(=CC=C4)OC)OC)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C(=CC=C4)OC)OC)O

InChI

InChI=1S/C25H22O6/c1-29-19-12-8-14(13-18(19)26)7-9-15-10-11-17-22(25(15)31-3)24(28)21-16(23(17)27)5-4-6-20(21)30-2/h4-6,8,10-13,26H,7,9H2,1-3H3