2-[4-[3-(4-chloranyl-2-phenoxy-phenoxy)phenoxy]-2-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[3-(4-chloranyl-2-phenoxy-phenoxy)phenoxy]-2-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[3-(4-chloro-2-phenoxy-phenoxy)phenoxy]-2-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[3-(4-chloro-2-phenoxyphenoxy)phenoxy]-2-methylphenyl]thio]acetic acid IUPAC Name: 2-[4-[3-(4-chloro-2-phenoxyphenoxy)phenoxy]-2-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-[3-(4-chloro-2-phenoxy-phenoxy)phenoxy]-2-methyl-phenyl]thio]acetic acid Formula: C27H21ClO5S MolecularWeight: 492.97064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC=C2)OC3=C(C=C(C=C3)Cl)OC4=CC=CC=C4)SCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC=C2)OC3=C(C=C(C=C3)Cl)OC4=CC=CC=C4)SCC(=O)O

InChI

InChI=1S/C27H21ClO5S/c1-18-14-23(11-13-26(18)34-17-27(29)30)31-21-8-5-9-22(16-21)33-24-12-10-19(28)15-25(24)32-20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,29,30)