methyl 2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-pentanoyl-anthracen-2-yl]ethanoate

Systemtic Name: methyl 2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-pentanoyl-anthracen-2-yl]ethanoate Openeye Name: methyl 2-(4,5-dihydroxy-9,10-dioxo-3-pentanoyl-2-anthryl)acetate CAS Name: 2-[4,5-dihydroxy-9,10-dioxo-3-(1-oxopentyl)-2-anthracenyl]acetic acid methyl ester IUPAC Name: methyl 2-(4,5-dihydroxy-9,10-dioxo-3-pentanoylanthracen-2-yl)acetate Traditional Name: 2-(4,5-dihydroxy-9,10-diketo-3-valeryl-2-anthryl)acetic acid methyl ester Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)CC(=O)OC

Isomeric SMILES

CCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)CC(=O)OC

InChI

InChI=1S/C22H20O7/c1-3-4-7-14(23)17-11(10-16(25)29-2)9-13-19(21(17)27)22(28)18-12(20(13)26)6-5-8-15(18)24/h5-6,8-9,24,27H,3-4,7,10H2,1-2H3