7-(5-chloranyl-2-methoxy-phenyl)-2-(4-methylphenyl)sulfanyl-heptanoic acid

Systemtic Name: 7-(5-chloranyl-2-methoxy-phenyl)-2-(4-methylphenyl)sulfanyl-heptanoic acid Openeye Name: 7-(5-chloro-2-methoxy-phenyl)-2-(p-tolylsulfanyl)heptanoic acid CAS Name: 7-(5-chloro-2-methoxyphenyl)-2-[(4-methylphenyl)thio]heptanoic acid IUPAC Name: 7-(5-chloro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylheptanoic acid Traditional Name: 7-(5-chloro-2-methoxy-phenyl)-2-(p-tolylthio)enanthic acid Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCC2=C(C=CC(=C2)Cl)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCC2=C(C=CC(=C2)Cl)OC)C(=O)O

InChI

InChI=1S/C21H25ClO3S/c1-15-8-11-18(12-9-15)26-20(21(23)24)7-5-3-4-6-16-14-17(22)10-13-19(16)25-2/h8-14,20H,3-7H2,1-2H3,(H,23,24)