4-[4-(5-octoxyhexan-2-yloxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(5-octoxyhexan-2-yloxy)phenyl]benzoic acid Openeye Name: 4-[4-(1-methyl-4-octoxy-pentoxy)phenyl]benzoic acid CAS Name: 4-[4-(5-octoxyhexan-2-yloxy)phenyl]benzoic acid IUPAC Name: 4-[4-(5-octoxyhexan-2-yloxy)phenyl]benzoic acid Traditional Name: 4-[4-(1-methyl-4-octoxy-pentoxy)phenyl]benzoic acid Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)CCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC(C)CCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C27H38O4/c1-4-5-6-7-8-9-20-30-21(2)10-11-22(3)31-26-18-16-24(17-19-26)23-12-14-25(15-13-23)27(28)29/h12-19,21-22H,4-11,20H2,1-3H3,(H,28,29)