3-[(1S,2S)-1-chloranyl-2-oxidanyl-butyl]isochromen-1-one

Systemtic Name: 3-[(1S,2S)-1-chloranyl-2-oxidanyl-butyl]isochromen-1-one Openeye Name: 3-[(1S,2S)-1-chloro-2-hydroxy-butyl]isochromen-1-one CAS Name: 3-[(1S,2S)-1-chloro-2-hydroxybutyl]-2-benzopyran-1-one IUPAC Name: 3-[(1S,2S)-1-chloro-2-hydroxybutyl]isochromen-1-one Traditional Name: 3-[(1S,2S)-1-chloro-2-hydroxy-butyl]isocoumarin Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=CC=CC=C2C(=O)O1)Cl)O

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC2=CC=CC=C2C(=O)O1)Cl)O

InChI

InChI=1S/C13H13ClO3/c1-2-10(15)12(14)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,15H,2H2,1H3/t10-,12-/m0/s1