4-bromanyl-9,10-bis(oxidanylidene)-1-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]anthracene-2-carboxylic acid

Systemtic Name: 4-bromanyl-9,10-bis(oxidanylidene)-1-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]anthracene-2-carboxylic acid Openeye Name: 4-bromo-1-[(5-hydroxy-5-oxo-pentanoyl)amino]-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 4-bromo-1-[(5-hydroxy-1,5-dioxopentyl)amino]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 4-bromo-1-[(5-hydroxy-5-oxopentanoyl)amino]-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 4-bromo-1-[(5-hydroxy-5-keto-pentanoyl)amino]-9,10-diketo-anthracene-2-carboxylic acid Formula: C20H14BrNO7 MolecularWeight: 460.23166

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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)CCCC(=O)O)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO7/c21-12-8-11(20(28)29)17(22-13(23)6-3-7-14(24)25)16-15(12)18(26)9-4-1-2-5-10(9)19(16)27/h1-2,4-5,8H,3,6-7H2,(H,22,23)(H,24,25)(H,28,29)