4-[(4-tert-butyl-2-methyl-phenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-tert-butyl-2-methyl-phenyl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-tert-butyl-2-methyl-phenyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-tert-butyl-2-methylphenyl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-tert-butyl-2-methyl-phenyl)thio]methyl]benzoic acid Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H22O2S/c1-13-11-16(19(2,3)4)9-10-17(13)22-12-14-5-7-15(8-6-14)18(20)21/h5-11H,12H2,1-4H3,(H,20,21)