2-[(6-methyl-9-oxidanylidene-1,2,3,4-tetrahydroxanthen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(6-methyl-9-oxidanylidene-1,2,3,4-tetrahydroxanthen-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-2-carbonyl)amino]benzoic acid CAS Name: 2-[[(6-methyl-9-oxo-1,2,3,4-tetrahydroxanthen-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(9-keto-6-methyl-1,2,3,4-tetrahydroxanthene-2-carbonyl)amino]benzoic acid Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C3=C(O2)CCC(C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(O2)CCC(C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H19NO5/c1-12-6-8-15-19(10-12)28-18-9-7-13(11-16(18)20(15)24)21(25)23-17-5-3-2-4-14(17)22(26)27/h2-6,8,10,13H,7,9,11H2,1H3,(H,23,25)(H,26,27)