4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxidanylidene-butanethioic S-acid

Systemtic Name: 4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxidanylidene-butanethioic S-acid Openeye Name: 4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxo-butanethioic S-acid CAS Name: 4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxobutanethioic S-acid IUPAC Name: 4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxobutanethioic S-acid Traditional Name: 4-[3-(2,6-dimethylbenzyl)oxyphenyl]-4-keto-thiobutyric acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)COC2=CC=CC(=C2)C(=O)CCC(=O)S

Isomeric SMILES

CC1=C(C(=CC=C1)C)COC2=CC=CC(=C2)C(=O)CCC(=O)S

InChI

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