(3-ethanoylsulfanyl-2-oxidanyl-propyl) 4-tert-butylbenzoate

Systemtic Name: (3-ethanoylsulfanyl-2-oxidanyl-propyl) 4-tert-butylbenzoate Openeye Name: (3-acetylsulfanyl-2-hydroxy-propyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(acetylthio)-2-hydroxypropyl] ester IUPAC Name: (3-acetylsulfanyl-2-hydroxypropyl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(acetylthio)-2-hydroxy-propyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC(=O)C1=CC=C(C=C1)C(C)(C)C)O

Isomeric SMILES

CC(=O)SCC(COC(=O)C1=CC=C(C=C1)C(C)(C)C)O

InChI

InChI=1S/C16H22O4S/c1-11(17)21-10-14(18)9-20-15(19)12-5-7-13(8-6-12)16(2,3)4/h5-8,14,18H,9-10H2,1-4H3