2-nonan-4-ylnaphthalene-1-sulfonic acid

Systemtic Name: 2-nonan-4-ylnaphthalene-1-sulfonic acid Openeye Name: 2-(1-propylhexyl)naphthalene-1-sulfonic acid CAS Name: 2-nonan-4-yl-1-naphthalenesulfonic acid IUPAC Name: 2-nonan-4-ylnaphthalene-1-sulfonic acid Traditional Name: 2-(1-propylhexyl)naphthalene-1-sulfonic acid Formula: C19H26O3S MolecularWeight: 334.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CCC)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H26O3S/c1-3-5-6-10-15(9-4-2)18-14-13-16-11-7-8-12-17(16)19(18)23(20,21)22/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,20,21,22)