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

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-ethyl-phenyl]pentan-3-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[3-ethyl-4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-ethyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[3-ethyl-4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]propyl]-2-thenoic acid Formula: C24H34O4S MolecularWeight: 418.58936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(CC)(CC)C2=CC=C(S2)C(=O)O)OCC(C(C)(C)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(CC)(CC)C2=CC=C(S2)C(=O)O)OCC(C(C)(C)C)O

InChI

InChI=1S/C24H34O4S/c1-7-16-14-17(10-11-18(16)28-15-20(25)23(4,5)6)24(8-2,9-3)21-13-12-19(29-21)22(26)27/h10-14,20,25H,7-9,15H2,1-6H3,(H,26,27)