4-[4-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[(2,6-dimethylphenyl)methylthio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[(2,6-dimethylbenzyl)thio]phenyl]-4-keto-butyric acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CSC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)CSC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C19H20O3S/c1-13-4-3-5-14(2)17(13)12-23-16-8-6-15(7-9-16)18(20)10-11-19(21)22/h3-9H,10-12H2,1-2H3,(H,21,22)