2-[4-[(3R)-3-(4-ethyl-2-phenoxy-phenoxy)butoxy]-2-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(3R)-3-(4-ethyl-2-phenoxy-phenoxy)butoxy]-2-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(3R)-3-(4-ethyl-2-phenoxy-phenoxy)butoxy]-2-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(3R)-3-(4-ethyl-2-phenoxyphenoxy)butoxy]-2-methylphenyl]thio]acetic acid IUPAC Name: 2-[4-[(3R)-3-(4-ethyl-2-phenoxyphenoxy)butoxy]-2-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(3R)-3-(4-ethyl-2-phenoxy-phenoxy)butoxy]-2-methyl-phenyl]thio]acetic acid Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)SCC(=O)O)C)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)O[C@H](C)CCOC2=CC(=C(C=C2)SCC(=O)O)C)OC3=CC=CC=C3

InChI

InChI=1S/C27H30O5S/c1-4-21-10-12-24(25(17-21)32-22-8-6-5-7-9-22)31-20(3)14-15-30-23-11-13-26(19(2)16-23)33-18-27(28)29/h5-13,16-17,20H,4,14-15,18H2,1-3H3,(H,28,29)/t20-/m1/s1