(3R,5R)-7-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)heptanoate

Systemtic Name: (3R,5R)-7-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)heptanoate Openeye Name: (3R,5R)-7-(3,5-ditert-butyl-4-hydroxy-phenyl)-3,5-dihydroxy-heptanoate CAS Name: (3R,5R)-7-(3,5-ditert-butyl-4-hydroxyphenyl)-3,5-dihydroxyheptanoate IUPAC Name: (3R,5R)-7-(3,5-ditert-butyl-4-hydroxyphenyl)-3,5-dihydroxyheptanoate Traditional Name: (3R,5R)-7-(3,5-ditert-butyl-4-hydroxy-phenyl)-3,5-dihydroxy-enanthate Formula: C21H33O5- MolecularWeight: 365.48372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CC(CC(=O)[O-])O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O

InChI

InChI=1S/C21H34O5/c1-20(2,3)16-9-13(10-17(19(16)26)21(4,5)6)7-8-14(22)11-15(23)12-18(24)25/h9-10,14-15,22-23,26H,7-8,11-12H2,1-6H3,(H,24,25)/p-1/t14-,15-/m1/s1