S-[2,4,6-tri(propan-2-yl)phenyl] 2-methyl-3-oxidanylidene-5-phenyl-pentanethioate

Systemtic Name: S-[2,4,6-tri(propan-2-yl)phenyl] 2-methyl-3-oxidanylidene-5-phenyl-pentanethioate Openeye Name: S-(2,4,6-triisopropylphenyl) 2-methyl-3-oxo-5-phenyl-pentanethioate CAS Name: 2-methyl-3-oxo-5-phenylpentanethioic acid S-[2,4,6-tri(propan-2-yl)phenyl] ester IUPAC Name: S-[2,4,6-tri(propan-2-yl)phenyl] 2-methyl-3-oxo-5-phenylpentanethioate Traditional Name: 3-keto-2-methyl-5-phenyl-pentanethioic acid S-(2,4,6-triisopropylphenyl) ester Formula: C27H36O2S MolecularWeight: 424.63854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)SC(=O)C(C)C(=O)CCC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)SC(=O)C(C)C(=O)CCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C27H36O2S/c1-17(2)22-15-23(18(3)4)26(24(16-22)19(5)6)30-27(29)20(7)25(28)14-13-21-11-9-8-10-12-21/h8-12,15-20H,13-14H2,1-7H3