3-oxidanylpropyl 4-(3,5-ditert-butyl-5-oxidanyl-cyclohexa-1,3-dien-1-yl)butanoate

Systemtic Name: 3-oxidanylpropyl 4-(3,5-ditert-butyl-5-oxidanyl-cyclohexa-1,3-dien-1-yl)butanoate Openeye Name: 3-hydroxypropyl 4-(3,5-ditert-butyl-5-hydroxy-cyclohexa-1,3-dien-1-yl)butanoate CAS Name: 4-(3,5-ditert-butyl-5-hydroxy-1-cyclohexa-1,3-dienyl)butanoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 4-(3,5-ditert-butyl-5-hydroxycyclohexa-1,3-dien-1-yl)butanoate Traditional Name: 4-(3,5-ditert-butyl-5-hydroxy-cyclohexa-1,3-dien-1-yl)butyric acid 3-hydroxypropyl ester Formula: C21H36O4 MolecularWeight: 352.50814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(CC(=C1)CCCC(=O)OCCCO)(C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC(CC(=C1)CCCC(=O)OCCCO)(C(C)(C)C)O

InChI

InChI=1S/C21H36O4/c1-19(2,3)17-13-16(14-21(24,15-17)20(4,5)6)9-7-10-18(23)25-12-8-11-22/h13,15,22,24H,7-12,14H2,1-6H3