1-(2-octadecylphenyl)nonadecane-1-sulfonic acid

Systemtic Name: 1-(2-octadecylphenyl)nonadecane-1-sulfonic acid Openeye Name: 1-(2-octadecylphenyl)nonadecane-1-sulfonic acid CAS Name: 1-(2-octadecylphenyl)-1-nonadecanesulfonic acid IUPAC Name: 1-(2-octadecylphenyl)nonadecane-1-sulfonic acid Traditional Name: 1-(2-stearylphenyl)nonadecane-1-sulfonic acid Formula: C43H80O3S MolecularWeight: 677.1585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C43H80O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-38-35-36-39-42(41)43(47(44,45)46)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,38-39,43H,3-34,37,40H2,1-2H3,(H,44,45,46)