3,4,6-tris(chloranyl)-5-(4-methylphenyl)sulfanyl-phthalic acid

Systemtic Name: 3,4,6-tris(chloranyl)-5-(4-methylphenyl)sulfanyl-phthalic acid Openeye Name: 3,4,6-trichloro-5-(p-tolylsulfanyl)phthalic acid CAS Name: 3,4,6-trichloro-5-[(4-methylphenyl)thio]phthalic acid IUPAC Name: 3,4,6-trichloro-5-(4-methylphenyl)sulfanylphthalic acid Traditional Name: 3,4,6-trichloro-5-(p-tolylthio)phthalic acid Formula: C15H9Cl3O4S MolecularWeight: 391.65356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2Cl)Cl)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2Cl)Cl)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C15H9Cl3O4S/c1-6-2-4-7(5-3-6)23-13-11(17)9(15(21)22)8(14(19)20)10(16)12(13)18/h2-5H,1H3,(H,19,20)(H,21,22)