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

Systemtic Name: 2-[4-[(E)-3-(3-ethylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(3-ethylphenyl)-3-phenyl-allyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(E)-3-(3-ethylphenyl)-3-phenylprop-2-enyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(3-ethylphenyl)-3-phenylprop-2-enyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[(E)-3-(3-ethylphenyl)-3-phenyl-allyl]thio]-2-methyl-phenoxy]acetic acid Formula: C26H26O3S MolecularWeight: 418.54784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O3S/c1-3-20-8-7-11-22(17-20)24(21-9-5-4-6-10-21)14-15-30-23-12-13-25(19(2)16-23)29-18-26(27)28/h4-14,16-17H,3,15,18H2,1-2H3,(H,27,28)/b24-14+