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

Systemtic Name: 5-[3-[4-(4,4-dimethyl-3-oxidanyl-pentyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]propyl]-3-methyl-2-thenoic acid Formula: C25H36O3S MolecularWeight: 416.61654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O3S/c1-8-25(9-2,21-15-17(4)22(29-21)23(27)28)19-12-10-18(16(3)14-19)11-13-20(26)24(5,6)7/h10,12,14-15,20,26H,8-9,11,13H2,1-7H3,(H,27,28)