1-[[5-methoxy-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]ethane-1,1,2-tricarboxylic acid

Systemtic Name: 1-[[5-methoxy-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]ethane-1,1,2-tricarboxylic acid Openeye Name: 1-[(4-hydroxy-5-methoxy-9,10-dioxo-2-anthryl)methyl]ethane-1,1,2-tricarboxylic acid CAS Name: 1-[(4-hydroxy-5-methoxy-9,10-dioxo-2-anthracenyl)methyl]ethane-1,1,2-tricarboxylic acid IUPAC Name: 1-[(4-hydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)methyl]ethane-1,1,2-tricarboxylic acid Traditional Name: 1-[(4-hydroxy-9,10-diketo-5-methoxy-2-anthryl)methyl]ethane-1,1,2-tricarboxylic acid Formula: C21H16O10 MolecularWeight: 428.34574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CC(CC(=O)O)(C(=O)O)C(=O)O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CC(CC(=O)O)(C(=O)O)C(=O)O)O

InChI

InChI=1S/C21H16O10/c1-31-13-4-2-3-10-16(13)18(26)15-11(17(10)25)5-9(6-12(15)22)7-21(19(27)28,20(29)30)8-14(23)24/h2-6,22H,7-8H2,1H3,(H,23,24)(H,27,28)(H,29,30)