2-[2-methyl-4-[(E)-6-oxidanyl-3-(4-phenylphenyl)hex-2-en-4-ynyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[(E)-6-oxidanyl-3-(4-phenylphenyl)hex-2-en-4-ynyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-6-hydroxy-3-(4-phenylphenyl)hex-2-en-4-ynyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(E)-6-hydroxy-3-(4-phenylphenyl)hex-2-en-4-ynyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-6-hydroxy-3-(4-phenylphenyl)hex-2-en-4-ynyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[(E)-6-hydroxy-3-(4-phenylphenyl)hex-2-en-4-ynyl]thio]-2-methyl-phenoxy]acetic acid Formula: C27H24O4S MolecularWeight: 444.54206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C#CCO)C2=CC=C(C=C2)C3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC/C=C(/C#CCO)\C2=CC=C(C=C2)C3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C27H24O4S/c1-20-18-25(13-14-26(20)31-19-27(29)30)32-17-15-22(8-5-16-28)24-11-9-23(10-12-24)21-6-3-2-4-7-21/h2-4,6-7,9-15,18,28H,16-17,19H2,1H3,(H,29,30)/b22-15-