S-diphenylphosphoryl 2,4,6-trimethylbenzenecarbothioate

Systemtic Name: S-diphenylphosphoryl 2,4,6-trimethylbenzenecarbothioate Openeye Name: S-diphenylphosphoryl 2,4,6-trimethylbenzenecarbothioate CAS Name: 2,4,6-trimethylbenzenecarbothioic acid S-diphenylphosphoryl ester IUPAC Name: S-diphenylphosphoryl 2,4,6-trimethylbenzenecarbothioate Traditional Name: 2,4,6-trimethylthiobenzoic acid S-diphenylphosphoryl ester Formula: C22H21O2PS MolecularWeight: 380.439701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)SP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)SP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21O2PS/c1-16-14-17(2)21(18(3)15-16)22(23)26-25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3