4-[2-chloranyl-3-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-butanoic acid

Systemtic Name: 4-[2-chloranyl-3-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-butanoic acid Openeye Name: 4-[3-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-ethyl-butanoic acid CAS Name: 4-[2-chloro-3-[(3-phenylmethoxyphenyl)thio]phenyl]-2-ethylbutanoic acid IUPAC Name: 4-[2-chloro-3-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-ethylbutanoic acid Traditional Name: 4-[3-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-ethyl-butyric acid Formula: C25H25ClO3S MolecularWeight: 440.9822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C(=CC=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)C(=O)O

Isomeric SMILES

CCC(CCC1=C(C(=CC=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C25H25ClO3S/c1-2-19(25(27)28)14-15-20-10-6-13-23(24(20)26)30-22-12-7-11-21(16-22)29-17-18-8-4-3-5-9-18/h3-13,16,19H,2,14-15,17H2,1H3,(H,27,28)