2-[3-chloranyl-4-[(E)-3-(3-ethoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[(E)-3-(3-ethoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-chloro-4-[(E)-3-(3-ethoxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-chloro-4-[[(E)-3-(3-ethoxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-chloro-4-[(E)-3-(3-ethoxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-chloro-4-[[(E)-3-m-phenetyl-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C25H23ClO4S MolecularWeight: 454.96572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1)/C(=C/CSC2=C(C=C(C=C2)OCC(=O)O)Cl)/C3=CC=CC=C3

InChI

InChI=1S/C25H23ClO4S/c1-2-29-20-10-6-9-19(15-20)22(18-7-4-3-5-8-18)13-14-31-24-12-11-21(16-23(24)26)30-17-25(27)28/h3-13,15-16H,2,14,17H2,1H3,(H,27,28)/b22-13+