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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O4S/c1-8-25(9-2,22-13-12-20(30-22)23(27)28)17-10-11-19(18(14-17)16(3)4)29-15-21(26)24(5,6)7/h10-14,16,21,26H,8-9,15H2,1-7H3,(H,27,28)