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

Systemtic Name: 2-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid Openeye Name: 2-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-6-carboxylic acid CAS Name: 2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-6-carboxylic acid Traditional Name: 2-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-6-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(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC3=C(S2)C=C(C=C3)C(=O)O

InChI

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