6-[4-[(4-cyanophenyl)diazenyl]phenoxy]-2-ethyl-hexanoic acid

Systemtic Name: 6-[4-[(4-cyanophenyl)diazenyl]phenoxy]-2-ethyl-hexanoic acid Openeye Name: 6-[4-(4-cyanophenyl)azophenoxy]-2-ethyl-hexanoic acid CAS Name: 6-[4-(4-cyanophenyl)azophenoxy]-2-ethylhexanoic acid IUPAC Name: 6-[4-[(4-cyanophenyl)diazenyl]phenoxy]-2-ethylhexanoic acid Traditional Name: 6-[4-(4-cyanophenyl)azophenoxy]-2-ethyl-hexanoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCC(CCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C21H23N3O3/c1-2-17(21(25)26)5-3-4-14-27-20-12-10-19(11-13-20)24-23-18-8-6-16(15-22)7-9-18/h6-13,17H,2-5,14H2,1H3,(H,25,26)