2-hexadecyl-3-(2-hexadecyl-3-sulfo-phenoxy)benzenesulfonic acid

Systemtic Name: 2-hexadecyl-3-(2-hexadecyl-3-sulfo-phenoxy)benzenesulfonic acid Openeye Name: 2-hexadecyl-3-(2-hexadecyl-3-sulfo-phenoxy)benzenesulfonic acid CAS Name: 2-hexadecyl-3-(2-hexadecyl-3-sulfophenoxy)benzenesulfonic acid IUPAC Name: 2-hexadecyl-3-(2-hexadecyl-3-sulfophenoxy)benzenesulfonic acid Traditional Name: 2-cetyl-3-(2-cetyl-3-sulfo-phenoxy)besylic acid Formula: C44H74O7S2 MolecularWeight: 779.18416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=C(C(=CC=C2)S(=O)(=O)O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)OC2=C(C(=CC=C2)S(=O)(=O)O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-39-41(35-31-37-43(39)52(45,46)47)51-42-36-32-38-44(53(48,49)50)40(42)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-38H,3-30,33-34H2,1-2H3,(H,45,46,47)(H,48,49,50)