phenethyl 2-chloranyl-3-oxidanyl-3-phenyl-butanoate

Systemtic Name: phenethyl 2-chloranyl-3-oxidanyl-3-phenyl-butanoate Openeye Name: phenethyl 2-chloro-3-hydroxy-3-phenyl-butanoate CAS Name: 2-chloro-3-hydroxy-3-phenylbutanoic acid phenethyl ester IUPAC Name: phenethyl 2-chloro-3-hydroxy-3-phenylbutanoate Traditional Name: 2-chloro-3-hydroxy-3-phenyl-butyric acid phenethyl ester Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(C(=O)OCCC2=CC=CC=C2)Cl)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(C(=O)OCCC2=CC=CC=C2)Cl)O

InChI

InChI=1S/C18H19ClO3/c1-18(21,15-10-6-3-7-11-15)16(19)17(20)22-13-12-14-8-4-2-5-9-14/h2-11,16,21H,12-13H2,1H3