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

Systemtic Name: 2-[2-methyl-4-[(3R)-3-(2-phenoxy-4-propan-2-yl-phenoxy)butoxy]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(3R)-3-(4-isopropyl-2-phenoxy-phenoxy)butoxy]-2-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[2-methyl-4-[(3R)-3-(2-phenoxy-4-propan-2-ylphenoxy)butoxy]phenyl]thio]acetic acid IUPAC Name: 2-[2-methyl-4-[(3R)-3-(2-phenoxy-4-propan-2-ylphenoxy)butoxy]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(3R)-3-(4-isopropyl-2-phenoxy-phenoxy)butoxy]-2-methyl-phenyl]thio]acetic acid Formula: C28H32O5S MolecularWeight: 480.61568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)OC2=C(C=C(C=C2)C(C)C)OC3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC[C@@H](C)OC2=C(C=C(C=C2)C(C)C)OC3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C28H32O5S/c1-19(2)22-10-12-25(26(17-22)33-23-8-6-5-7-9-23)32-21(4)14-15-31-24-11-13-27(20(3)16-24)34-18-28(29)30/h5-13,16-17,19,21H,14-15,18H2,1-4H3,(H,29,30)/t21-/m1/s1