(2S)-3-(5-chloranyl-2-hexoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(5-chloranyl-2-hexoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(5-chloro-2-hexoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(5-chloro-2-hexoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(5-chloro-2-hexoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(5-chloro-2-hexoxy-phenyl)-2-phenyl-propionate Formula: C21H24ClO3- MolecularWeight: 359.86646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Cl)CC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Cl)C[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H25ClO3/c1-2-3-4-8-13-25-20-12-11-18(22)14-17(20)15-19(21(23)24)16-9-6-5-7-10-16/h5-7,9-12,14,19H,2-4,8,13,15H2,1H3,(H,23,24)/p-1/t19-/m0/s1