6-methylheptyl 3-(3-tert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 6-methylheptyl 3-(3-tert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 6-methylheptyl 3-(3-tert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-phenyl)propionic acid 6-methylheptyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CCC1=CC(=C(C=C1)O)C(C)(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)CCC1=CC(=C(C=C1)O)C(C)(C)C

InChI

InChI=1S/C21H34O3/c1-16(2)9-7-6-8-14-24-20(23)13-11-17-10-12-19(22)18(15-17)21(3,4)5/h10,12,15-16,22H,6-9,11,13-14H2,1-5H3