11-[4-(1-adamantyl)phenoxy]undecanoic acid

Systemtic Name: 11-[4-(1-adamantyl)phenoxy]undecanoic acid Openeye Name: 11-[4-(1-adamantyl)phenoxy]undecanoic acid CAS Name: 11-[4-(1-adamantyl)phenoxy]undecanoic acid IUPAC Name: 11-[4-(1-adamantyl)phenoxy]undecanoic acid Traditional Name: 11-[4-(1-adamantyl)phenoxy]undecanoic acid Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCCCCCCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCCCCCCCCC(=O)O

InChI

InChI=1S/C27H40O3/c28-26(29)9-7-5-3-1-2-4-6-8-14-30-25-12-10-24(11-13-25)27-18-21-15-22(19-27)17-23(16-21)20-27/h10-13,21-23H,1-9,14-20H2,(H,28,29)