2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-(1-ethylundecyl)benzenesulfonic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-tridecan-3-ylbenzenesulfonic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-(1-ethylundecyl)besylic acid Formula: C25H47NO6S MolecularWeight: 489.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C19H32O3S.C6H15NO3/c1-3-5-6-7-8-9-10-11-12-17(4-2)18-13-15-19(16-14-18)23(20,21)22;8-4-1-7(2-5-9)3-6-10/h13-17H,3-12H2,1-2H3,(H,20,21,22);8-10H,1-6H2