octyl 3-(3-tert-butyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoate

Systemtic Name: octyl 3-(3-tert-butyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoate Openeye Name: octyl 3-(3-tert-butyl-4-hydroxy-cyclohexa-1,3-dien-1-yl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-1-cyclohexa-1,3-dienyl)propanoic acid octyl ester IUPAC Name: octyl 3-(3-tert-butyl-4-hydroxycyclohexa-1,3-dien-1-yl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-cyclohexa-1,3-dien-1-yl)propionic acid octyl ester Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=CC(=C(CC1)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=CC(=C(CC1)O)C(C)(C)C

InChI

InChI=1S/C21H36O3/c1-5-6-7-8-9-10-15-24-20(23)14-12-17-11-13-19(22)18(16-17)21(2,3)4/h16,22H,5-15H2,1-4H3