methyl 4-methyl-2-[2-(triphenylmethyl)sulfanylethanoyl]pentanoate

Systemtic Name: methyl 4-methyl-2-[2-(triphenylmethyl)sulfanylethanoyl]pentanoate Openeye Name: methyl 4-methyl-2-(2-tritylsulfanylacetyl)pentanoate CAS Name: 4-methyl-2-[1-oxo-2-[(triphenylmethyl)thio]ethyl]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-(2-tritylsulfanylacetyl)pentanoate Traditional Name: 4-methyl-2-[2-(tritylthio)acetyl]valeric acid methyl ester Formula: C28H30O3S MolecularWeight: 446.601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H30O3S/c1-21(2)19-25(27(30)31-3)26(29)20-32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25H,19-20H2,1-3H3