S-(2,3,4,5,6-pentamethylphenyl) benzenecarbothioate

Systemtic Name: S-(2,3,4,5,6-pentamethylphenyl) benzenecarbothioate Openeye Name: S-(2,3,4,5,6-pentamethylphenyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(2,3,4,5,6-pentamethylphenyl) ester IUPAC Name: S-(2,3,4,5,6-pentamethylphenyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2,3,4,5,6-pentamethylphenyl) ester Formula: C18H20OS MolecularWeight: 284.4158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20OS/c1-11-12(2)14(4)17(15(5)13(11)3)20-18(19)16-9-7-6-8-10-16/h6-10H,1-5H3