2-[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1-oxo-3-phenyl-isochromane-6-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl)methyl]amino]terephthalic acid IUPAC Name: 2-[(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-keto-3-phenyl-isochroman-6-carbonyl)amino]terephthalic acid Formula: C24H17NO7 MolecularWeight: 431.39428

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H17NO7/c26-21(25-19-11-15(22(27)28)7-9-18(19)23(29)30)14-6-8-17-16(10-14)12-20(32-24(17)31)13-4-2-1-3-5-13/h1-11,20H,12H2,(H,25,26)(H,27,28)(H,29,30)