5-azanyl-2-dodecyl-benzenesulfonic acid

Systemtic Name: 5-azanyl-2-dodecyl-benzenesulfonic acid Openeye Name: 5-amino-2-dodecyl-benzenesulfonic acid CAS Name: 5-amino-2-dodecylbenzenesulfonic acid IUPAC Name: 5-amino-2-dodecylbenzenesulfonic acid Traditional Name: 5-amino-2-lauryl-besylic acid Formula: C18H31NO3S MolecularWeight: 341.50864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C(C=C1)N)S(=O)(=O)O

InChI

InChI=1S/C18H31NO3S/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)