N-octadecyloctadecan-1-amine; 2-propan-2-ylbenzenesulfonic acid

Systemtic Name: N-octadecyloctadecan-1-amine; 2-propan-2-ylbenzenesulfonic acid Openeye Name: 2-isopropylbenzenesulfonic acid; N-octadecyloctadecan-1-amine CAS Name: N-octadecyl-1-octadecanamine; 2-propan-2-ylbenzenesulfonic acid IUPAC Name: N-octadecyloctadecan-1-amine; 2-propan-2-ylbenzenesulfonic acid Traditional Name: distearylamine; 2-isopropylbesylic acid Formula: C45H87NO3S MolecularWeight: 722.24218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.CC(C)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.CC(C)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C36H75N.C9H12O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7(2)8-5-3-4-6-9(8)13(10,11)12/h37H,3-36H2,1-2H3;3-7H,1-2H3,(H,10,11,12)