5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-thenoic acid Formula: C23H32O4S MolecularWeight: 404.56278

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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=CC=C(S2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H32O4S/c1-7-23(8-2,20-12-11-18(28-20)21(25)26)16-9-10-17(15(3)13-16)27-14-19(24)22(4,5)6/h9-13,19,24H,7-8,14H2,1-6H3,(H,25,26)