2-[4-(3,4-dimethoxyphenyl)butyl]-1,8-bis(oxidanyl)-10H-anthracen-9-one

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-1,8-bis(oxidanyl)-10H-anthracen-9-one Openeye Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-1,8-dihydroxy-10H-anthracen-9-one CAS Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-1,8-dihydroxy-10H-anthracen-9-one IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-1,8-dihydroxy-10H-anthracen-9-one Traditional Name: 2-[4-(3,4-dimethoxyphenyl)butyl]-1,8-dihydroxy-10H-anthracen-9-one Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCC2=C(C3=C(CC4=C(C3=O)C(=CC=C4)O)C=C2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCC2=C(C3=C(CC4=C(C3=O)C(=CC=C4)O)C=C2)O)OC

InChI

InChI=1S/C26H26O5/c1-30-21-13-10-16(14-22(21)31-2)6-3-4-7-17-11-12-19-15-18-8-5-9-20(27)23(18)26(29)24(19)25(17)28/h5,8-14,27-28H,3-4,6-7,15H2,1-2H3