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

Systemtic Name: 2-[4-[(E)-3-(3-ethylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-3-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(3-ethylphenyl)-3-phenyl-allyl]sulfanyl-3-iodo-phenoxy]acetic acid CAS Name: 2-[4-[[(E)-3-(3-ethylphenyl)-3-phenylprop-2-enyl]thio]-3-iodophenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(3-ethylphenyl)-3-phenylprop-2-enyl]sulfanyl-3-iodophenoxy]acetic acid Traditional Name: 2-[4-[[(E)-3-(3-ethylphenyl)-3-phenyl-allyl]thio]-3-iodo-phenoxy]acetic acid Formula: C25H23IO3S MolecularWeight: 530.41779

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)I)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC(=C1)/C(=C/CSC2=C(C=C(C=C2)OCC(=O)O)I)/C3=CC=CC=C3

InChI

InChI=1S/C25H23IO3S/c1-2-18-7-6-10-20(15-18)22(19-8-4-3-5-9-19)13-14-30-24-12-11-21(16-23(24)26)29-17-25(27)28/h3-13,15-16H,2,14,17H2,1H3,(H,27,28)/b22-13+