2-[[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4,5-dihydroxy-9,10-dioxo-anthracene-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(4,5-dihydroxy-9,10-dioxo-2-anthracenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4,5-dihydroxy-9,10-diketo-anthracene-2-carbonyl)amino]-3-methyl-butyric acid Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

InChI

InChI=1S/C20H17NO7/c1-8(2)16(20(27)28)21-19(26)9-6-11-15(13(23)7-9)18(25)14-10(17(11)24)4-3-5-12(14)22/h3-8,16,22-23H,1-2H3,(H,21,26)(H,27,28)