(4-methylsulfanylphenyl)methyl 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2,3,4,5,6-pentamethylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [4-(methylthio)benzyl] ester Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=CC=C(C=C2)SC)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=CC=C(C=C2)SC)C)C

InChI

InChI=1S/C20H24O2S/c1-12-13(2)15(4)19(16(5)14(12)3)20(21)22-11-17-7-9-18(23-6)10-8-17/h7-10H,11H2,1-6H3