2-[(3-tert-butyl-5-carboxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(3-tert-butyl-5-carboxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(3-tert-butyl-5-carboxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(3-tert-butyl-5-carboxyphenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(3-tert-butyl-5-carboxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(3-tert-butyl-5-carboxy-benzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)COC2=CC=CC(=C2C(=O)O)CCS)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)COC2=CC=CC(=C2C(=O)O)CCS)C(=O)O

InChI

InChI=1S/C21H24O5S/c1-21(2,3)16-10-13(9-15(11-16)19(22)23)12-26-17-6-4-5-14(7-8-27)18(17)20(24)25/h4-6,9-11,27H,7-8,12H2,1-3H3,(H,22,23)(H,24,25)