4-dodecylnaphthalene-1,2,3-trisulfonic acid

Systemtic Name: 4-dodecylnaphthalene-1,2,3-trisulfonic acid Openeye Name: 4-dodecylnaphthalene-1,2,3-trisulfonic acid CAS Name: 4-dodecylnaphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-dodecylnaphthalene-1,2,3-trisulfonic acid Traditional Name: 4-laurylnaphthalene-1,2,3-trisulfonic acid Formula: C22H32O9S3 MolecularWeight: 536.67908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H32O9S3/c1-2-3-4-5-6-7-8-9-10-11-15-18-17-14-12-13-16-19(17)21(33(26,27)28)22(34(29,30)31)20(18)32(23,24)25/h12-14,16H,2-11,15H2,1H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)