3-hexadecyl-4-phenoxy-benzene-1,2-disulfonic acid

Systemtic Name: 3-hexadecyl-4-phenoxy-benzene-1,2-disulfonic acid Openeye Name: 3-hexadecyl-4-phenoxy-benzene-1,2-disulfonic acid CAS Name: 3-hexadecyl-4-phenoxybenzene-1,2-disulfonic acid IUPAC Name: 3-hexadecyl-4-phenoxybenzene-1,2-disulfonic acid Traditional Name: 3-cetyl-4-phenoxy-benzene-1,2-disulfonic acid Formula: C28H42O7S2 MolecularWeight: 554.75888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C28H42O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-26(35-24-19-16-15-17-20-24)22-23-27(36(29,30)31)28(25)37(32,33)34/h15-17,19-20,22-23H,2-14,18,21H2,1H3,(H,29,30,31)(H,32,33,34)