methyl 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]ethanoate

Systemtic Name: methyl 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]ethanoate Openeye Name: methyl 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)cyclohexyl]thio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)cyclohexyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)cyclohexyl]thio]phenyl]acetic acid methyl ester Formula: C26H32O5S MolecularWeight: 456.59428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2)SC3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2)SC3=CC=C(C=C3)CC(=O)OC

InChI

InChI=1S/C26H32O5S/c1-4-6-23-24(14-13-22(17(2)27)26(23)29)31-19-7-5-8-21(16-19)32-20-11-9-18(10-12-20)15-25(28)30-3/h9-14,19,21,29H,4-8,15-16H2,1-3H3