8-[(2S,4S,5R)-5-(6-oxidanylhexyl)-2-phenyl-1,3-dioxolan-4-yl]octanoic acid

Systemtic Name: 8-[(2S,4S,5R)-5-(6-oxidanylhexyl)-2-phenyl-1,3-dioxolan-4-yl]octanoic acid Openeye Name: 8-[(2S,4S,5R)-5-(6-hydroxyhexyl)-2-phenyl-1,3-dioxolan-4-yl]octanoic acid CAS Name: 8-[(2S,4S,5R)-5-(6-hydroxyhexyl)-2-phenyl-1,3-dioxolan-4-yl]octanoic acid IUPAC Name: 8-[(2S,4S,5R)-5-(6-hydroxyhexyl)-2-phenyl-1,3-dioxolan-4-yl]octanoic acid Traditional Name: 8-[(2S,4S,5R)-5-(6-hydroxyhexyl)-2-phenyl-1,3-dioxolan-4-yl]caprylic acid Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2OC(C(O2)CCCCCCO)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2O[C@H]([C@H](O2)CCCCCCO)CCCCCCCC(=O)O

InChI

InChI=1S/C23H36O5/c24-18-12-5-4-10-16-21-20(15-9-2-1-3-11-17-22(25)26)27-23(28-21)19-13-7-6-8-14-19/h6-8,13-14,20-21,23-24H,1-5,9-12,15-18H2,(H,25,26)/t20-,21+,23-/m0/s1