2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-4-(prop-2-ynylcarbamoyl)benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-4-(prop-2-ynylcarbamoyl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4-(prop-2-ynylcarbamoyl)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4-[oxo-(prop-2-ynylamino)methyl]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-(prop-2-ynylcarbamoyl)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4-(propargylcarbamoyl)benzoic acid Formula: C24H15NO6 MolecularWeight: 413.379

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C#CCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C24H15NO6/c1-2-9-25-23(28)13-3-6-16(24(29)30)19(10-13)22-17-7-4-14(26)11-20(17)31-21-12-15(27)5-8-18(21)22/h1,3-8,10-12,26H,9H2,(H,25,28)(H,29,30)