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

Systemtic Name: methyl 3-methyl-5-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxidanyl-pentyl)phenyl]pentan-3-yl]thiophene-2-carboxylate Openeye Name: methyl 5-[1-ethyl-1-[4-(3-hydroxy-2,4,4-trimethyl-pentyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[3-[4-(3-hydroxy-2,4,4-trimethylpentyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(3-hydroxy-2,4,4-trimethylpentyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(3-hydroxy-2,4,4-trimethyl-pentyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C27H40O3S MolecularWeight: 444.6697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O3S/c1-10-27(11-2,22-16-18(4)23(31-22)25(29)30-9)21-13-12-20(17(3)15-21)14-19(5)24(28)26(6,7)8/h12-13,15-16,19,24,28H,10-11,14H2,1-9H3