propanoyl (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)octadec-9-enoate

Systemtic Name: propanoyl (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)octadec-9-enoate Openeye Name: propanoyl (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)octadec-9-enoate CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-9-octadecenoic acid 1-oxopropyl ester IUPAC Name: propanoyl (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)octadec-9-enoate Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)octadec-9-enoic acid propionyl ester Formula: C35H58O4 MolecularWeight: 542.83262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCC(CC(=O)OC(=O)CC)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCC(CC(=O)OC(=O)CC)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H58O4/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-27(26-32(37)39-31(36)10-2)28-24-29(34(3,4)5)33(38)30(25-28)35(6,7)8/h17-18,24-25,27,38H,9-16,19-23,26H2,1-8H3/b18-17+