4-bromanyl-9,10-bis(oxidanylidene)-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]anthracene-2-carboxylic acid

Systemtic Name: 4-bromanyl-9,10-bis(oxidanylidene)-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]anthracene-2-carboxylic acid Openeye Name: 4-bromo-1-[(4-hydroxy-4-oxo-butanoyl)amino]-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 4-bromo-1-[(4-hydroxy-1,4-dioxobutyl)amino]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 4-bromo-1-[(4-hydroxy-4-oxobutanoyl)amino]-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 4-bromo-1-[(4-hydroxy-4-keto-butanoyl)amino]-9,10-diketo-anthracene-2-carboxylic acid Formula: C19H12BrNO7 MolecularWeight: 446.20508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)NC(=O)CCC(=O)O)C(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)NC(=O)CCC(=O)O)C(=O)O)Br

InChI

InChI=1S/C19H12BrNO7/c20-11-7-10(19(27)28)16(21-12(22)5-6-13(23)24)15-14(11)17(25)8-3-1-2-4-9(8)18(15)26/h1-4,7H,5-6H2,(H,21,22)(H,23,24)(H,27,28)