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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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