methyl 6-[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]hexanoate

Systemtic Name: methyl 6-[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]hexanoate Openeye Name: methyl 6-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)hexanoate CAS Name: 6-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)hexanoic acid methyl ester IUPAC Name: methyl 6-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)hexanoate Traditional Name: 6-(1,8-dihydroxy-9-keto-10H-anthracen-2-yl)hexanoic acid methyl ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC1=C(C2=C(CC3=C(C2=O)C(=CC=C3)O)C=C1)O

Isomeric SMILES

COC(=O)CCCCCC1=C(C2=C(CC3=C(C2=O)C(=CC=C3)O)C=C1)O

InChI

InChI=1S/C21H22O5/c1-26-17(23)9-4-2-3-6-13-10-11-15-12-14-7-5-8-16(22)18(14)21(25)19(15)20(13)24/h5,7-8,10-11,22,24H,2-4,6,9,12H2,1H3