benzenesulfonic acid; 1-(dodecylamino)propan-2-ol

Systemtic Name: benzenesulfonic acid; 1-(dodecylamino)propan-2-ol Openeye Name: benzenesulfonic acid; 1-(dodecylamino)propan-2-ol CAS Name: benzenesulfonic acid; 1-(dodecylamino)-2-propanol IUPAC Name: benzenesulfonic acid; 1-(dodecylamino)propan-2-ol Traditional Name: besylic acid; 1-(laurylamino)propan-2-ol Formula: C21H39NO4S MolecularWeight: 401.60366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCC(C)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCNCC(C)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H33NO.C6H6O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17;7-10(8,9)6-4-2-1-3-5-6/h15-17H,3-14H2,1-2H3;1-5H,(H,7,8,9)