4-(methylaminomethyl)hepta-1,6-diene-4-sulfonic acid

Systemtic Name: 4-(methylaminomethyl)hepta-1,6-diene-4-sulfonic acid Openeye Name: 4-(methylaminomethyl)hepta-1,6-diene-4-sulfonic acid CAS Name: 4-(methylaminomethyl)-4-hepta-1,6-dienesulfonic acid IUPAC Name: 4-(methylaminomethyl)hepta-1,6-diene-4-sulfonic acid Traditional Name: 4-(methylaminomethyl)hepta-1,6-diene-4-sulfonic acid Formula: C9H17NO3S MolecularWeight: 219.30118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC(CC=C)(CC=C)S(=O)(=O)O

Isomeric SMILES

CNCC(CC=C)(CC=C)S(=O)(=O)O

InChI

InChI=1S/C9H17NO3S/c1-4-6-9(7-5-2,8-10-3)14(11,12)13/h4-5,10H,1-2,6-8H2,3H3,(H,11,12,13)