3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-5-thiophen-3-yl-benzoic acid

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-5-thiophen-3-yl-benzoic acid Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-(3-thienyl)benzoic acid CAS Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-(3-thiophenyl)benzoic acid IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-thiophen-3-ylbenzoic acid Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-(3-thienyl)benzoic acid Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CSC=C3

InChI

InChI=1S/C22H22O4S/c1-22(2,3)17-4-6-18(7-5-17)26-12-16-10-15(14-8-9-27-13-14)11-19(20(16)23)21(24)25/h4-11,13,23H,12H2,1-3H3,(H,24,25)