2-dodecyl-6-(3-dodecyl-2-sulfo-phenoxy)benzenesulfonic acid

Systemtic Name: 2-dodecyl-6-(3-dodecyl-2-sulfo-phenoxy)benzenesulfonic acid Openeye Name: 2-dodecyl-6-(3-dodecyl-2-sulfo-phenoxy)benzenesulfonic acid CAS Name: 2-dodecyl-6-(3-dodecyl-2-sulfophenoxy)benzenesulfonic acid IUPAC Name: 2-dodecyl-6-(3-dodecyl-2-sulfophenoxy)benzenesulfonic acid Traditional Name: 2-lauryl-6-(3-lauryl-2-sulfo-phenoxy)besylic acid Formula: C36H58O7S2 MolecularWeight: 666.97152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC(=C2S(=O)(=O)O)CCCCCCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC(=C2S(=O)(=O)O)CCCCCCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C36H58O7S2/c1-3-5-7-9-11-13-15-17-19-21-25-31-27-23-29-33(35(31)44(37,38)39)43-34-30-24-28-32(36(34)45(40,41)42)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30H,3-22,25-26H2,1-2H3,(H,37,38,39)(H,40,41,42)