tert-butyl (E,3R,7R)-2,2-dimethyl-3,7-bis(oxidanyl)-9-phenylmethoxy-non-4-enoate

Systemtic Name: tert-butyl (E,3R,7R)-2,2-dimethyl-3,7-bis(oxidanyl)-9-phenylmethoxy-non-4-enoate Openeye Name: tert-butyl (E,3R,7R)-9-benzyloxy-3,7-dihydroxy-2,2-dimethyl-non-4-enoate CAS Name: (E,3R,7R)-3,7-dihydroxy-2,2-dimethyl-9-phenylmethoxy-4-nonenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,3R,7R)-3,7-dihydroxy-2,2-dimethyl-9-phenylmethoxynon-4-enoate Traditional Name: (E,3R,7R)-9-benzoxy-3,7-dihydroxy-2,2-dimethyl-non-4-enoic acid tert-butyl ester Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)C(C=CCC(CCOCC1=CC=CC=C1)O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)[C@@H](/C=C/C[C@H](CCOCC1=CC=CC=C1)O)O

InChI

InChI=1S/C22H34O5/c1-21(2,3)27-20(25)22(4,5)19(24)13-9-12-18(23)14-15-26-16-17-10-7-6-8-11-17/h6-11,13,18-19,23-24H,12,14-16H2,1-5H3/b13-9+/t18-,19-/m1/s1