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

Systemtic Name: 5-(4-cyanophenyl)-5-[4-(oxan-2-yloxy)phenoxy]pentane-1-sulfonic acid Openeye Name: 5-(4-cyanophenyl)-5-(4-tetrahydropyran-2-yloxyphenoxy)pentane-1-sulfonic acid CAS Name: 5-(4-cyanophenyl)-5-[4-(2-oxanyloxy)phenoxy]-1-pentanesulfonic acid IUPAC Name: 5-(4-cyanophenyl)-5-[4-(oxan-2-yloxy)phenoxy]pentane-1-sulfonic acid Traditional Name: 5-(4-cyanophenyl)-5-(4-tetrahydropyran-2-yloxyphenoxy)pentane-1-sulfonic acid Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

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)