5-(4-cyanophenyl)-5-[4-(oxan-2-yloxy)phenoxy]pentane-1-sulfonate

Systemtic Name: 5-(4-cyanophenyl)-5-[4-(oxan-2-yloxy)phenoxy]pentane-1-sulfonate Openeye Name: 5-(4-cyanophenyl)-5-(4-tetrahydropyran-2-yloxyphenoxy)pentane-1-sulfonate CAS Name: 5-(4-cyanophenyl)-5-[4-(2-oxanyloxy)phenoxy]-1-pentanesulfonate IUPAC Name: 5-(4-cyanophenyl)-5-[4-(oxan-2-yloxy)phenoxy]pentane-1-sulfonate Traditional Name: 5-(4-cyanophenyl)-5-(4-tetrahydropyran-2-yloxyphenoxy)pentane-1-sulfonate Formula: C23H26NO6S- MolecularWeight: 444.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC=C(C=C2)OC(CCCCS(=O)(=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCOC(C1)OC2=CC=C(C=C2)OC(CCCCS(=O)(=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27NO6S/c24-17-18-7-9-19(10-8-18)22(5-2-4-16-31(25,26)27)29-20-11-13-21(14-12-20)30-23-6-1-3-15-28-23/h7-14,22-23H,1-6,15-16H2,(H,25,26,27)/p-1