5-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]benzothiophene-2-carboxylic acid CAS Name: 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzothiophene-2-carboxylic acid Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O4S/c1-7-27(8-2,20-10-12-22-18(14-20)15-23(32-22)25(29)30)19-9-11-21(17(3)13-19)31-16-24(28)26(4,5)6/h9-15H,7-8,16H2,1-6H3,(H,29,30)