S-phenethyl 2,4,6-triethylbenzenecarbothioate

Systemtic Name: S-phenethyl 2,4,6-triethylbenzenecarbothioate Openeye Name: S-phenethyl 2,4,6-triethylbenzenecarbothioate CAS Name: 2,4,6-triethylbenzenecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 2,4,6-triethylbenzenecarbothioate Traditional Name: 2,4,6-triethylthiobenzoic acid S-phenethyl ester Formula: C21H26OS MolecularWeight: 326.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)C(=O)SCCC2=CC=CC=C2)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)C(=O)SCCC2=CC=CC=C2)CC

InChI

InChI=1S/C21H26OS/c1-4-16-14-18(5-2)20(19(6-3)15-16)21(22)23-13-12-17-10-8-7-9-11-17/h7-11,14-15H,4-6,12-13H2,1-3H3