2-(3-methyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl)-5-(2-oxidanylethanoylamino)benzoic acid

Systemtic Name: 2-(3-methyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl)-5-(2-oxidanylethanoylamino)benzoic acid Openeye Name: 5-[(2-hydroxyacetyl)amino]-2-(3-methyl-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid CAS Name: 5-[(2-hydroxy-1-oxoethyl)amino]-2-(3-methyl-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid IUPAC Name: 5-[(2-hydroxyacetyl)amino]-2-(3-methyl-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid Traditional Name: 5-(glycoloylamino)-2-(6-keto-3-methyl-8a,9-dihydroxanthen-9-yl)benzoic acid Formula: C23H19NO6 MolecularWeight: 405.40006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)NC(=O)CO)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)NC(=O)CO)C(=O)O

InChI

InChI=1S/C23H19NO6/c1-12-2-5-16-19(8-12)30-20-10-14(26)4-7-17(20)22(16)15-6-3-13(24-21(27)11-25)9-18(15)23(28)29/h2-10,17,22,25H,11H2,1H3,(H,24,27)(H,28,29)