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

Systemtic Name: 2-[2-methyl-4-[(Z)-6-methyl-6-oxidanyl-3-(4-phenylphenyl)hept-2-en-4-ynyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-6-hydroxy-6-methyl-3-(4-phenylphenyl)hept-2-en-4-ynyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(Z)-6-hydroxy-6-methyl-3-(4-phenylphenyl)hept-2-en-4-ynyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-6-hydroxy-6-methyl-3-(4-phenylphenyl)hept-2-en-4-ynyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[(Z)-6-hydroxy-6-methyl-3-(4-phenylphenyl)hept-2-en-4-ynyl]thio]-2-methyl-phenoxy]acetic acid Formula: C29H28O4S MolecularWeight: 472.59522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O4S/c1-21-19-26(13-14-27(21)33-20-28(30)31)34-18-16-25(15-17-29(2,3)32)24-11-9-23(10-12-24)22-7-5-4-6-8-22/h4-14,16,19,32H,18,20H2,1-3H3,(H,30,31)/b25-16+