6-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 6-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid Openeye Name: 6-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-2-carboxylic acid CAS Name: 6-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 6-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid Traditional Name: 6-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-2-carboxylic acid Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(C=C2)C=C(S3)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(C=C2)C=C(S3)C(=O)O

InChI

InChI=1S/C27H34O4S/c1-7-27(8-2,20-10-9-18-14-23(25(29)30)32-22(18)15-20)19-11-12-21(17(3)13-19)31-16-24(28)26(4,5)6/h9-15,24,28H,7-8,16H2,1-6H3,(H,29,30)