2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid

Systemtic Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid Openeye Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid CAS Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid IUPAC Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid Traditional Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid Formula: C32H55NO7S2 MolecularWeight: 629.9116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCC.CN(C)CCO

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCC.CN(C)CCO

InChI

InChI=1S/C28H44O6S2.C4H11NO/c1-3-5-7-9-11-13-15-19-23-24-20-17-18-22-26(24)28(36(32,33)34)27(35(29,30)31)25(23)21-16-14-12-10-8-6-4-2;1-5(2)3-4-6/h17-18,20,22H,3-16,19,21H2,1-2H3,(H,29,30,31)(H,32,33,34);6H,3-4H2,1-2H3