7-[(3S)-4-chloranyl-3-oxidanyl-butoxy]chromen-2-one

Systemtic Name: 7-[(3S)-4-chloranyl-3-oxidanyl-butoxy]chromen-2-one Openeye Name: 7-[(3S)-4-chloro-3-hydroxy-butoxy]chromen-2-one CAS Name: 7-[(3S)-4-chloro-3-hydroxybutoxy]-1-benzopyran-2-one IUPAC Name: 7-[(3S)-4-chloro-3-hydroxybutoxy]chromen-2-one Traditional Name: 7-[(3S)-4-chloro-3-hydroxy-butoxy]coumarin Formula: C13H13ClO4 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OCCC(CCl)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OCC[C@@H](CCl)O

InChI

InChI=1S/C13H13ClO4/c14-8-10(15)5-6-17-11-3-1-9-2-4-13(16)18-12(9)7-11/h1-4,7,10,15H,5-6,8H2/t10-/m0/s1