5-(1-benzothiophen-2-yl)-3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-(1-benzothiophen-2-yl)-3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-(benzothiophen-2-yl)-3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-benzoic acid CAS Name: 5-(1-benzothiophen-2-yl)-3-[(4-tert-butylphenoxy)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-(1-benzothiophen-2-yl)-3-[(4-tert-butylphenoxy)methyl]-2-hydroxybenzoic acid Traditional Name: 5-(benzothiophen-2-yl)-3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-benzoic acid Formula: C26H24O4S MolecularWeight: 432.53136

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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=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C26H24O4S/c1-26(2,3)19-8-10-20(11-9-19)30-15-18-12-17(13-21(24(18)27)25(28)29)23-14-16-6-4-5-7-22(16)31-23/h4-14,27H,15H2,1-3H3,(H,28,29)