3-[3-methyl-1-oxidanylidene-1-(2,4,6-trimethylphenyl)butan-2-yl]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[3-methyl-1-oxidanylidene-1-(2,4,6-trimethylphenyl)butan-2-yl]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[2-methyl-1-(2,4,6-trimethylbenzoyl)propyl]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[3-methyl-1-oxo-1-(2,4,6-trimethylphenyl)butan-2-yl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[3-methyl-1-oxo-1-(2,4,6-trimethylphenyl)butan-2-yl]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[2-methyl-1-(2,4,6-trimethylbenzoyl)propyl]-5-phenyl-2-thenoic acid Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C)C

InChI

InChI=1S/C25H26O3S/c1-14(2)21(23(26)22-16(4)11-15(3)12-17(22)5)19-13-20(29-24(19)25(27)28)18-9-7-6-8-10-18/h6-14,21H,1-5H3,(H,27,28)