1-[2-(2-pentylnonyl)phenyl]heptadecane-1-sulfonic acid

Systemtic Name: 1-[2-(2-pentylnonyl)phenyl]heptadecane-1-sulfonic acid Openeye Name: 1-[2-(2-pentylnonyl)phenyl]heptadecane-1-sulfonic acid CAS Name: 1-[2-(2-pentylnonyl)phenyl]-1-heptadecanesulfonic acid IUPAC Name: 1-[2-(2-pentylnonyl)phenyl]heptadecane-1-sulfonic acid Traditional Name: 1-[2-(2-amylnonyl)phenyl]heptadecane-1-sulfonic acid Formula: C37H68O3S MolecularWeight: 592.99902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1CC(CCCCC)CCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1CC(CCCCC)CCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C37H68O3S/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-25-32-37(41(38,39)40)36-31-27-26-30-35(36)33-34(28-23-9-6-3)29-24-21-11-8-5-2/h26-27,30-31,34,37H,4-25,28-29,32-33H2,1-3H3,(H,38,39,40)