sodium 5-azanyl-2-dodecyl-benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-dodecyl-benzenesulfonate Openeye Name: sodium 5-amino-2-dodecyl-benzenesulfonate CAS Name: sodium 5-amino-2-dodecylbenzenesulfonate IUPAC Name: sodium 5-amino-2-dodecylbenzenesulfonate Traditional Name: sodium 5-amino-2-lauryl-besylate Formula: C18H30NNaO3S MolecularWeight: 363.49047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C(C=C1)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C(C=C1)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H31NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)23(20,21)22;/h13-15H,2-12,19H2,1H3,(H,20,21,22);/q;+1/p-1