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

Systemtic Name: 5-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-[(3-amino-4-hydroxy-4-oxo-butanoyl)amino]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[(3-amino-4-hydroxy-1,4-dioxobutyl)amino]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-[(3-amino-4-hydroxy-4-oxobutanoyl)amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[(3-amino-4-hydroxy-4-keto-butanoyl)amino]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C24H18N2O8 MolecularWeight: 462.40832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O8/c25-18(24(32)33)10-21(29)26-11-1-4-14(17(7-11)23(30)31)22-15-5-2-12(27)8-19(15)34-20-9-13(28)3-6-16(20)22/h1-9,18,27H,10,25H2,(H,26,29)(H,30,31)(H,32,33)