(3S,4S)-6,7-bis(oxidanyl)-1-oxidanylidene-3-pyridin-4-yl-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-6,7-bis(oxidanyl)-1-oxidanylidene-3-pyridin-4-yl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-6,7-dihydroxy-1-oxo-3-(4-pyridyl)isochromane-4-carboxylic acid CAS Name: (3S,4S)-6,7-dihydroxy-1-oxo-3-pyridin-4-yl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-6,7-dihydroxy-1-oxo-3-pyridin-4-yl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-6,7-dihydroxy-1-keto-3-(4-pyridyl)isochroman-4-carboxylic acid Formula: C15H11NO6 MolecularWeight: 301.25094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O

Isomeric SMILES

C1=CN=CC=C1[C@@H]2[C@H](C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O

InChI

InChI=1S/C15H11NO6/c17-10-5-8-9(6-11(10)18)15(21)22-13(12(8)14(19)20)7-1-3-16-4-2-7/h1-6,12-13,17-18H,(H,19,20)/t12-,13+/m0/s1