2-(carboxymethylsulfanyl)-4-[2,4-di(propan-2-yl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-[2,4-di(propan-2-yl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(2,4-diisopropylphenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-[2,4-di(propan-2-yl)phenyl]-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-[2,4-di(propan-2-yl)phenyl]-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-(2,4-diisopropylphenyl)-4-keto-butyric acid Formula: C18H24O5S MolecularWeight: 352.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O)C(C)C

InChI

InChI=1S/C18H24O5S/c1-10(2)12-5-6-13(14(7-12)11(3)4)15(19)8-16(18(22)23)24-9-17(20)21/h5-7,10-11,16H,8-9H2,1-4H3,(H,20,21)(H,22,23)