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

Systemtic Name: 4-dodecylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-dodecylbenzene-1,2,3-trisulfonic acid CAS Name: 4-dodecylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-dodecylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-laurylbenzene-1,2,3-trisulfonic acid Formula: C18H30O9S3 MolecularWeight: 486.6204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H30O9S3/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(28(19,20)21)18(30(25,26)27)17(15)29(22,23)24/h13-14H,2-12H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)