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

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

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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

Isomeric SMILES

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

InChI

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