N,N-dibutylbutan-1-amine; 2-dodecylbenzenesulfonic acid

Systemtic Name: N,N-dibutylbutan-1-amine; 2-dodecylbenzenesulfonic acid Openeye Name: N,N-dibutylbutan-1-amine; 2-dodecylbenzenesulfonic acid CAS Name: N,N-dibutyl-1-butanamine; 2-dodecylbenzenesulfonic acid IUPAC Name: N,N-dibutylbutan-1-amine; 2-dodecylbenzenesulfonic acid Traditional Name: 2-laurylbesylic acid; tributylamine Formula: C30H57NO3S MolecularWeight: 511.84348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCN(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCN(CCCC)CCCC

InChI

InChI=1S/C18H30O3S.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-4-7-10-13(11-8-5-2)12-9-6-3/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);4-12H2,1-3H3