3-ethanoyl-5-(2-hydroxyethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 3-ethanoyl-5-(2-hydroxyethyl)-7-oxidanyl-chromen-2-one Openeye Name: 3-acetyl-7-hydroxy-5-(2-hydroxyethyl)chromen-2-one CAS Name: 3-acetyl-7-hydroxy-5-(2-hydroxyethyl)-1-benzopyran-2-one IUPAC Name: 3-acetyl-7-hydroxy-5-(2-hydroxyethyl)chromen-2-one Traditional Name: 3-acetyl-7-hydroxy-5-(2-hydroxyethyl)coumarin Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C(C=C2CCO)O)OC1=O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C(C=C2CCO)O)OC1=O

InChI

InChI=1S/C13H12O5/c1-7(15)10-6-11-8(2-3-14)4-9(16)5-12(11)18-13(10)17/h4-6,14,16H,2-3H2,1H3