(2S)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (2S)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-(3,4-dimethoxyphenyl)propanoate Openeye Name: (2S)-3-(5-chloro-2-hydroxy-phenyl)-2-(3,4-dimethoxyphenyl)propanoate CAS Name: (2S)-3-(5-chloro-2-hydroxyphenyl)-2-(3,4-dimethoxyphenyl)propanoate IUPAC Name: (2S)-3-(5-chloro-2-hydroxyphenyl)-2-(3,4-dimethoxyphenyl)propanoate Traditional Name: (2S)-3-(5-chloro-2-hydroxy-phenyl)-2-(3,4-dimethoxyphenyl)propionate Formula: C17H16ClO5- MolecularWeight: 335.75894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=C(C=CC(=C2)Cl)O)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC2=C(C=CC(=C2)Cl)O)C(=O)[O-])OC

InChI

InChI=1S/C17H17ClO5/c1-22-15-6-3-10(9-16(15)23-2)13(17(20)21)8-11-7-12(18)4-5-14(11)19/h3-7,9,13,19H,8H2,1-2H3,(H,20,21)/p-1/t13-/m0/s1