2,4-bis(oxidanyl)-3-[3-(7-oxidanylidene-3,8-dihydroisochromen-8-yl)propanoylamino]benzoic acid

Systemtic Name: 2,4-bis(oxidanyl)-3-[3-(7-oxidanylidene-3,8-dihydroisochromen-8-yl)propanoylamino]benzoic acid Openeye Name: 2,4-dihydroxy-3-[3-(7-oxo-3,8-dihydroisochromen-8-yl)propanoylamino]benzoic acid CAS Name: 2,4-dihydroxy-3-[[1-oxo-3-(7-oxo-3,8-dihydro-2-benzopyran-8-yl)propyl]amino]benzoic acid IUPAC Name: 2,4-dihydroxy-3-[3-(7-oxo-3,8-dihydroisochromen-8-yl)propanoylamino]benzoic acid Traditional Name: 2,4-dihydroxy-3-[3-(7-keto-3,8-dihydroisochromen-8-yl)propanoylamino]benzoic acid Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C=CC(=O)C(C2=CO1)CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

Isomeric SMILES

C1C=C2C=CC(=O)C(C2=CO1)CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

InChI

InChI=1S/C19H17NO7/c21-14-4-1-10-7-8-27-9-13(10)11(14)3-6-16(23)20-17-15(22)5-2-12(18(17)24)19(25)26/h1-2,4-5,7,9,11,22,24H,3,6,8H2,(H,20,23)(H,25,26)