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

Systemtic Name: 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-propyl-phenyl]pentan-3-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-propyl-phenyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propylphenyl]pentan-3-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-propyl-phenyl]propyl]-2-thenoic acid Formula: C25H36O4S MolecularWeight: 432.61594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(CC)(CC)C2=CC=C(S2)C(=O)O)OCC(C(C)(C)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(CC)(CC)C2=CC=C(S2)C(=O)O)OCC(C(C)(C)C)O

InChI

InChI=1S/C25H36O4S/c1-7-10-17-15-18(11-12-19(17)29-16-21(26)24(4,5)6)25(8-2,9-3)22-14-13-20(30-22)23(27)28/h11-15,21,26H,7-10,16H2,1-6H3,(H,27,28)