[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 5-chloro-2-hydroxy-benzoate CAS Name: 5-chloro-2-hydroxybenzoic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate Traditional Name: 5-chloro-2-hydroxy-benzoic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C19H19ClO4 MolecularWeight: 346.80476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C19H19ClO4/c1-3-12(2)13-4-6-14(7-5-13)18(22)11-24-19(23)16-10-15(20)8-9-17(16)21/h4-10,12,21H,3,11H2,1-2H3/t12-/m0/s1