3-(2-ethylhexyl)benzene-1,2-disulfonic acid

Systemtic Name: 3-(2-ethylhexyl)benzene-1,2-disulfonic acid Openeye Name: 3-(2-ethylhexyl)benzene-1,2-disulfonic acid CAS Name: 3-(2-ethylhexyl)benzene-1,2-disulfonic acid IUPAC Name: 3-(2-ethylhexyl)benzene-1,2-disulfonic acid Traditional Name: 3-(2-ethylhexyl)benzene-1,2-disulfonic acid Formula: C14H22O6S2 MolecularWeight: 350.45088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H22O6S2/c1-3-5-7-11(4-2)10-12-8-6-9-13(21(15,16)17)14(12)22(18,19)20/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,15,16,17)(H,18,19,20)