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

Systemtic Name: methyl 5-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-propan-2-yl-phenyl]pentan-3-yl]thiophene-2-carboxylate Openeye Name: methyl 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-isopropyl-phenyl]propyl]thiophene-2-carboxylate CAS Name: 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-propan-2-ylphenyl]pentan-3-yl]thiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-isopropyl-phenyl]propyl]thiophene-2-carboxylic acid methyl ester Formula: C26H38O4S MolecularWeight: 446.64252

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H38O4S/c1-9-26(10-2,23-14-13-21(31-23)24(28)29-8)18-11-12-20(19(15-18)17(3)4)30-16-22(27)25(5,6)7/h11-15,17,22,27H,9-10,16H2,1-8H3