6-[4-(5-imidazol-1-ylpentoxysulfanyl)phenoxy]-2,2-dimethyl-hexanoic acid

Systemtic Name: 6-[4-(5-imidazol-1-ylpentoxysulfanyl)phenoxy]-2,2-dimethyl-hexanoic acid Openeye Name: 6-[4-(5-imidazol-1-ylpentoxysulfanyl)phenoxy]-2,2-dimethyl-hexanoic acid CAS Name: 6-[4-[5-(1-imidazolyl)pentoxythio]phenoxy]-2,2-dimethylhexanoic acid IUPAC Name: 6-[4-(5-imidazol-1-ylpentoxysulfanyl)phenoxy]-2,2-dimethylhexanoic acid Traditional Name: 6-[4-(5-imidazol-1-ylpentoxythio)phenoxy]-2,2-dimethyl-hexanoic acid Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC=C(C=C1)SOCCCCCN2C=CN=C2)C(=O)O

Isomeric SMILES

CC(C)(CCCCOC1=CC=C(C=C1)SOCCCCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C22H32N2O4S/c1-22(2,21(25)26)12-4-7-16-27-19-8-10-20(11-9-19)29-28-17-6-3-5-14-24-15-13-23-18-24/h8-11,13,15,18H,3-7,12,14,16-17H2,1-2H3,(H,25,26)