4-[butylsulfanyl(1-cyclohexylpropan-2-yloxy)methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[butylsulfanyl(1-cyclohexylpropan-2-yloxy)methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[butylsulfanyl-(2-cyclohexyl-1-methyl-ethoxy)methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[(butylthio)-(1-cyclohexylpropan-2-yloxy)methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[butylsulfanyl(1-cyclohexylpropan-2-yloxy)methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[(butylthio)-(2-cyclohexyl-1-methyl-ethoxy)methyl]-2-(o-tolyl)benzoic acid Formula: C28H38O3S MolecularWeight: 454.66452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C)OC(C)CC3CCCCC3

Isomeric SMILES

CCCCSC(C1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C)OC(C)CC3CCCCC3

InChI

InChI=1S/C28H38O3S/c1-4-5-17-32-28(31-21(3)18-22-12-7-6-8-13-22)23-15-16-25(27(29)30)26(19-23)24-14-10-9-11-20(24)2/h9-11,14-16,19,21-22,28H,4-8,12-13,17-18H2,1-3H3,(H,29,30)