3-(3-chloranyl-3-oxidanylidene-propyl)sulfanylpropyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 3-(3-chloranyl-3-oxidanylidene-propyl)sulfanylpropyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 3-(3-chloro-3-oxo-propyl)sulfanylpropyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid 3-[(3-chloro-3-oxopropyl)thio]propyl ester IUPAC Name: 3-(3-chloro-3-oxopropyl)sulfanylpropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid 3-[(3-chloro-3-keto-propyl)thio]propyl ester Formula: C23H35ClO4S MolecularWeight: 443.0396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCSCCC(=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCSCCC(=O)Cl

InChI

InChI=1S/C23H35ClO4S/c1-22(2,3)17-14-16(15-18(21(17)27)23(4,5)6)8-9-20(26)28-11-7-12-29-13-10-19(24)25/h14-15,27H,7-13H2,1-6H3