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

Systemtic Name: 3-[1-(2,4-dichlorophenyl)-3-methyl-4-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[1-(2,4-dichlorobenzoyl)-3-hydroxy-2-methyl-propyl]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[1-(2,4-dichlorophenyl)-4-hydroxy-3-methyl-1-oxobutan-2-yl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[1-(2,4-dichlorophenyl)-4-hydroxy-3-methyl-1-oxobutan-2-yl]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[1-(2,4-dichlorobenzoyl)-3-hydroxy-2-methyl-propyl]-5-phenyl-2-thenoic acid Formula: C22H18Cl2O4S MolecularWeight: 449.34692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(CO)C(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18Cl2O4S/c1-12(11-25)19(20(26)15-8-7-14(23)9-17(15)24)16-10-18(29-21(16)22(27)28)13-5-3-2-4-6-13/h2-10,12,19,25H,11H2,1H3,(H,27,28)