2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]benzoate IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzoate Traditional Name: 2-[(2-keto-2-mesityl-ethyl)thio]benzoate Formula: C18H17O3S- MolecularWeight: 313.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=CC=CC=C2C(=O)[O-])C

InChI

InChI=1S/C18H18O3S/c1-11-8-12(2)17(13(3)9-11)15(19)10-22-16-7-5-4-6-14(16)18(20)21/h4-9H,10H2,1-3H3,(H,20,21)/p-1