6-[4-(4-cyanophenyl)phenoxy]hexyl 3-sulfanylpropanoate

Systemtic Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl 3-sulfanylpropanoate Openeye Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid 6-[4-(4-cyanophenyl)phenoxy]hexyl ester IUPAC Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid 6-[4-(4-cyanophenyl)phenoxy]hexyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCOC(=O)CCS

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCOC(=O)CCS

InChI

InChI=1S/C22H25NO3S/c23-17-18-5-7-19(8-6-18)20-9-11-21(12-10-20)25-14-3-1-2-4-15-26-22(24)13-16-27/h5-12,27H,1-4,13-16H2