S-(1,3-benzodioxol-5-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(1,3-benzodioxol-5-ylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(1,3-benzodioxol-5-ylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(1,3-benzodioxol-5-ylmethyl) ester IUPAC Name: S-(1,3-benzodioxol-5-ylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-piperonyl ester Formula: C23H28O4S MolecularWeight: 400.53102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H28O4S/c1-22(2,3)16-10-15(11-17(20(16)24)23(4,5)6)21(25)28-12-14-7-8-18-19(9-14)27-13-26-18/h7-11,24H,12-13H2,1-6H3