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

Systemtic Name: 4-tetradecylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-tetradecylbenzene-1,2,3-trisulfonic acid CAS Name: 4-tetradecylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-tetradecylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-myristylbenzene-1,2,3-trisulfonic acid Formula: C20H34O9S3 MolecularWeight: 514.67356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H34O9S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(30(21,22)23)20(32(27,28)29)19(17)31(24,25)26/h15-16H,2-14H2,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29)