5,7-bis(oxidanyl)-3-pyridin-3-yl-chromen-2-one; ethanoic acid

Systemtic Name: 5,7-bis(oxidanyl)-3-pyridin-3-yl-chromen-2-one; ethanoic acid Openeye Name: acetic acid; 5,7-dihydroxy-3-(3-pyridyl)chromen-2-one CAS Name: acetic acid; 5,7-dihydroxy-3-(3-pyridinyl)-1-benzopyran-2-one IUPAC Name: acetic acid; 5,7-dihydroxy-3-pyridin-3-ylchromen-2-one Traditional Name: acetic acid; 5,7-dihydroxy-3-(3-pyridyl)coumarin Formula: C18H17NO8 MolecularWeight: 375.32948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC(=CN=C1)C2=CC3=C(C=C(C=C3OC2=O)O)O

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC(=CN=C1)C2=CC3=C(C=C(C=C3OC2=O)O)O

InChI

InChI=1S/C14H9NO4.2C2H4O2/c16-9-4-12(17)11-6-10(8-2-1-3-15-7-8)14(18)19-13(11)5-9;2*1-2(3)4/h1-7,16-17H;2*1H3,(H,3,4)