3-azanyl-2-(6-azanylhexylsulfanyl)-5-ethyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-2-(6-azanylhexylsulfanyl)-5-ethyl-benzenesulfonic acid Openeye Name: 3-amino-2-(6-aminohexylsulfanyl)-5-ethyl-benzenesulfonic acid CAS Name: 3-amino-2-(6-aminohexylthio)-5-ethylbenzenesulfonic acid IUPAC Name: 3-amino-2-(6-aminohexylsulfanyl)-5-ethylbenzenesulfonic acid Traditional Name: 3-amino-2-(6-aminohexylthio)-5-ethyl-besylic acid Formula: C14H24N2O3S2 MolecularWeight: 332.48196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)S(=O)(=O)O)SCCCCCCN)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)S(=O)(=O)O)SCCCCCCN)N

InChI

InChI=1S/C14H24N2O3S2/c1-2-11-9-12(16)14(13(10-11)21(17,18)19)20-8-6-4-3-5-7-15/h9-10H,2-8,15-16H2,1H3,(H,17,18,19)