3-[2-oxidanyl-5-(1-oxidanylideneisochromen-3-yl)phenyl]propanoic acid

Systemtic Name: 3-[2-oxidanyl-5-(1-oxidanylideneisochromen-3-yl)phenyl]propanoic acid Openeye Name: 3-[2-hydroxy-5-(1-oxoisochromen-3-yl)phenyl]propanoic acid CAS Name: 3-[2-hydroxy-5-(1-oxo-2-benzopyran-3-yl)phenyl]propanoic acid IUPAC Name: 3-[2-hydroxy-5-(1-oxoisochromen-3-yl)phenyl]propanoic acid Traditional Name: 3-[2-hydroxy-5-(1-ketoisochromen-3-yl)phenyl]propionic acid Formula: C18H14O5 MolecularWeight: 310.30076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(OC2=O)C3=CC(=C(C=C3)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(OC2=O)C3=CC(=C(C=C3)O)CCC(=O)O

InChI

InChI=1S/C18H14O5/c19-15-7-5-13(9-12(15)6-8-17(20)21)16-10-11-3-1-2-4-14(11)18(22)23-16/h1-5,7,9-10,19H,6,8H2,(H,20,21)