2-[(9-oxidanylidene-5,6,7,8-tetrahydroxanthen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(9-oxidanylidene-5,6,7,8-tetrahydroxanthen-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(9-oxo-5,6,7,8-tetrahydroxanthene-2-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-(9-oxo-5,6,7,8-tetrahydroxanthen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[(9-oxo-5,6,7,8-tetrahydroxanthene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(9-keto-5,6,7,8-tetrahydroxanthene-2-carbonyl)amino]benzoic acid Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H17NO5/c23-19-14-6-2-4-8-17(14)27-18-10-9-12(11-15(18)19)20(24)22-16-7-3-1-5-13(16)21(25)26/h1,3,5,7,9-11H,2,4,6,8H2,(H,22,24)(H,25,26)