4-(3,5-ditert-butyl-2-propoxy-phenyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-(3,5-ditert-butyl-2-propoxy-phenyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-(3,5-ditert-butyl-2-propoxy-phenyl)benzothiophene-2-carboxylic acid CAS Name: 4-(3,5-ditert-butyl-2-propoxyphenyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-(3,5-ditert-butyl-2-propoxyphenyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-(3,5-ditert-butyl-2-propoxy-phenyl)benzothiophene-2-carboxylic acid Formula: C26H32O3S MolecularWeight: 424.59548

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=C3C=C(SC3=CC=C2)C(=O)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=C3C=C(SC3=CC=C2)C(=O)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H32O3S/c1-8-12-29-23-19(13-16(25(2,3)4)14-20(23)26(5,6)7)17-10-9-11-21-18(17)15-22(30-21)24(27)28/h9-11,13-15H,8,12H2,1-7H3,(H,27,28)