ethyl 2,2-dimethyl-6-[4-[5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpentoxy]phenoxy]hexanoate

Systemtic Name: ethyl 2,2-dimethyl-6-[4-[5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpentoxy]phenoxy]hexanoate Openeye Name: ethyl 2,2-dimethyl-6-[4-[5-(1-oxidopyridin-1-ium-2-yl)sulfanylpentoxy]phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-[5-[(1-oxido-2-pyridin-1-iumyl)thio]pentoxy]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-6-[4-[5-(1-oxidopyridin-1-ium-2-yl)sulfanylpentoxy]phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-[5-[(1-oxidopyridin-1-ium-2-yl)thio]pentoxy]phenoxy]hexanoic acid ethyl ester Formula: C26H37NO5S MolecularWeight: 475.64068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C26H37NO5S/c1-4-30-25(28)26(2,3)17-7-10-20-32-23-15-13-22(14-16-23)31-19-9-5-11-21-33-24-12-6-8-18-27(24)29/h6,8,12-16,18H,4-5,7,9-11,17,19-21H2,1-3H3