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

Systemtic Name: methyl 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid methyl ester 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)C2=CC(=C(S2)C(=O)OC)C

Isomeric SMILES

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

InChI

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