2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-[(Z)-1-oxidanyl-3-oxidanylidene-pent-1-enyl]anthracen-2-yl]ethanoic acid

Systemtic Name: 2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-[(Z)-1-oxidanyl-3-oxidanylidene-pent-1-enyl]anthracen-2-yl]ethanoic acid Openeye Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-oxo-pent-1-enyl]-9,10-dioxo-2-anthryl]acetic acid CAS Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-oxopent-1-enyl]-9,10-dioxo-2-anthracenyl]acetic acid IUPAC Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-oxopent-1-enyl]-9,10-dioxoanthracen-2-yl]acetic acid Traditional Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-keto-pent-1-enyl]-9,10-diketo-2-anthryl]acetic acid Formula: C21H16O8 MolecularWeight: 396.34694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)/C=C(/C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)CC(=O)O)\O

InChI

InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,8,23-24,28H,2,7H2,1H3,(H,25,26)/b14-8-