3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: 3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: 3-[3-(2-benzyloxy-5-chloro-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(5-chloro-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoate IUPAC Name: 3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxy-5-chloro-phenyl)-2-hydroxy-propyl]thio]propionate Formula: C19H20ClO4S- MolecularWeight: 379.8777

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC(CSCCC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC(CSCCC(=O)[O-])O

InChI

InChI=1S/C19H21ClO4S/c20-16-6-7-18(24-12-14-4-2-1-3-5-14)15(10-16)11-17(21)13-25-9-8-19(22)23/h1-7,10,17,21H,8-9,11-13H2,(H,22,23)/p-1