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

Systemtic Name: 4-hexadecylnaphthalene-1,2,3-trisulfonic acid Openeye Name: 4-hexadecylnaphthalene-1,2,3-trisulfonic acid CAS Name: 4-hexadecylnaphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-hexadecylnaphthalene-1,2,3-trisulfonic acid Traditional Name: 4-cetylnaphthalene-1,2,3-trisulfonic acid Formula: C26H40O9S3 MolecularWeight: 592.7854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H40O9S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-21-18-16-17-20-23(21)25(37(30,31)32)26(38(33,34)35)24(22)36(27,28)29/h16-18,20H,2-15,19H2,1H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)