4-[(1-cyclohexyl-3-ethylsulfanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[(1-cyclohexyl-3-ethylsulfanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[1-(cyclohexylmethyl)-2-ethylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[1-cyclohexyl-3-(ethylthio)propan-2-yl]oxymethyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[(1-cyclohexyl-3-ethylsulfanylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[1-(cyclohexylmethyl)-2-(ethylthio)ethoxy]methyl]-2-(o-tolyl)benzoic acid Formula: C26H34O3S MolecularWeight: 426.61136

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCSCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C26H34O3S/c1-3-30-18-22(15-20-10-5-4-6-11-20)29-17-21-13-14-24(26(27)28)25(16-21)23-12-8-7-9-19(23)2/h7-9,12-14,16,20,22H,3-6,10-11,15,17-18H2,1-2H3,(H,27,28)