5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-[(4-hydroxy-4-oxo-butanoyl)amino]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[(4-hydroxy-1,4-dioxobutyl)amino]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-[(4-hydroxy-4-oxobutanoyl)amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[(4-hydroxy-4-keto-butanoyl)amino]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C24H17NO8 MolecularWeight: 447.39368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(=O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(=O)O)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C24H17NO8/c26-13-2-5-16-19(10-13)33-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(31)32)25-21(28)7-8-22(29)30/h1-6,9-11,26H,7-8H2,(H,25,28)(H,29,30)(H,31,32)