5-(5-oxidanylidenepentanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-(5-oxidanylidenepentanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(5-oxopentanoylamino)benzoic acid CAS Name: 5-(1,5-dioxopentylamino)-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(5-oxopentanoylamino)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-(5-ketopentanoylamino)benzoic acid Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO7/c27-10-2-1-3-23(30)26-14-4-7-17(20(11-14)25(31)32)24-18-8-5-15(28)12-21(18)33-22-13-16(29)6-9-19(22)24/h4-13,28H,1-3H2,(H,26,30)(H,31,32)