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

Systemtic Name: N,N-dimethyloctadecan-1-amine; 2-dodecylbenzenesulfonic acid Openeye Name: N,N-dimethyloctadecan-1-amine; 2-dodecylbenzenesulfonic acid CAS Name: N,N-dimethyl-1-octadecanamine; 2-dodecylbenzenesulfonic acid IUPAC Name: N,N-dimethyloctadecan-1-amine; 2-dodecylbenzenesulfonic acid Traditional Name: dimethyl(stearyl)amine; 2-laurylbesylic acid Formula: C38H73NO3S MolecularWeight: 624.05612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C20H43N.C18H30O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h4-20H2,1-3H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)