2-chloranyl-2-[[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-methyl-pentanoic acid

Systemtic Name: 2-chloranyl-2-[[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-methyl-pentanoic acid Openeye Name: 2-chloro-2-[[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-methyl-pentanoic acid CAS Name: 2-chloro-2-[[2-[(4-methoxyphenyl)methylthio]phenyl]methyl]-4-methylpentanoic acid IUPAC Name: 2-chloro-2-[[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-methylpentanoic acid Traditional Name: 2-chloro-4-methyl-2-[2-(p-anisylthio)benzyl]valeric acid Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1SCC2=CC=C(C=C2)OC)(C(=O)O)Cl

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1SCC2=CC=C(C=C2)OC)(C(=O)O)Cl

InChI

InChI=1S/C21H25ClO3S/c1-15(2)12-21(22,20(23)24)13-17-6-4-5-7-19(17)26-14-16-8-10-18(25-3)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,23,24)