2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]benzoic acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20O3S/c1-19(2,3)14-10-8-13(9-11-14)16(20)12-23-17-7-5-4-6-15(17)18(21)22/h4-11H,12H2,1-3H3,(H,21,22)