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

Systemtic Name: 2-[4,5-bis(oxidanyl)-10-oxidanylidene-3-[(Z)-1-oxidanyl-3-oxidanylidene-pent-1-enyl]-9H-anthracen-2-yl]ethanoic acid Openeye Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-oxo-pent-1-enyl]-10-oxo-9H-anthracen-2-yl]acetic acid CAS Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-oxopent-1-enyl]-10-oxo-9H-anthracen-2-yl]acetic acid IUPAC Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-oxopent-1-enyl]-10-oxo-9H-anthracen-2-yl]acetic acid Traditional Name: 2-[4,5-dihydroxy-3-[(Z)-1-hydroxy-3-keto-pent-1-enyl]-10-keto-9H-anthracen-2-yl]acetic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C=C(C1=C(C=C2CC3=C(C(=CC=C3)O)C(=O)C2=C1O)CC(=O)O)O

Isomeric SMILES

CCC(=O)/C=C(/C1=C(C=C2CC3=C(C(=CC=C3)O)C(=O)C2=C1O)CC(=O)O)\O

InChI

InChI=1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,9,23-24,28H,2,6,8H2,1H3,(H,25,26)/b15-9-