4-(3-tert-butyl-4-methoxy-phenyl)carbonylsulfanylbenzoic acid

Systemtic Name: 4-(3-tert-butyl-4-methoxy-phenyl)carbonylsulfanylbenzoic acid Openeye Name: 4-(3-tert-butyl-4-methoxy-benzoyl)sulfanylbenzoic acid CAS Name: 4-[[(3-tert-butyl-4-methoxyphenyl)-oxomethyl]thio]benzoic acid IUPAC Name: 4-(3-tert-butyl-4-methoxybenzoyl)sulfanylbenzoic acid Traditional Name: 4-[(3-tert-butyl-4-methoxy-benzoyl)thio]benzoic acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)SC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)SC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C19H20O4S/c1-19(2,3)15-11-13(7-10-16(15)23-4)18(22)24-14-8-5-12(6-9-14)17(20)21/h5-11H,1-4H3,(H,20,21)