N',N'-dimethylpropane-1,3-diamine; 4-dodecylbenzenesulfonic acid

Systemtic Name: N',N'-dimethylpropane-1,3-diamine; 4-dodecylbenzenesulfonic acid Openeye Name: N',N'-dimethylpropane-1,3-diamine; 4-dodecylbenzenesulfonic acid CAS Name: N',N'-dimethylpropane-1,3-diamine; 4-dodecylbenzenesulfonic acid IUPAC Name: N',N'-dimethylpropane-1,3-diamine; 4-dodecylbenzenesulfonic acid Traditional Name: 3-aminopropyl(dimethyl)amine; 4-laurylbesylic acid Formula: C23H44N2O3S MolecularWeight: 428.67206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCN

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCN

InChI

InChI=1S/C18H30O3S.C5H14N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-7(2)5-3-4-6/h13-16H,2-12H2,1H3,(H,19,20,21);3-6H2,1-2H3