benzenesulfonic acid; 1-[6-(2-oxidanylundecylamino)hexylamino]undecan-2-ol

Systemtic Name: benzenesulfonic acid; 1-[6-(2-oxidanylundecylamino)hexylamino]undecan-2-ol Openeye Name: benzenesulfonic acid; 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol CAS Name: benzenesulfonic acid; 1-[6-(2-hydroxyundecylamino)hexylamino]-2-undecanol IUPAC Name: benzenesulfonic acid; 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol Traditional Name: besylic acid; 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol Formula: C40H72N2O8S2 MolecularWeight: 773.13828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CNCCCCCCNCC(CCCCCCCCC)O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CNCCCCCCNCC(CCCCCCCCC)O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H60N2O2.2C6H6O3S/c1-3-5-7-9-11-13-17-21-27(31)25-29-23-19-15-16-20-24-30-26-28(32)22-18-14-12-10-8-6-4-2;2*7-10(8,9)6-4-2-1-3-5-6/h27-32H,3-26H2,1-2H3;2*1-5H,(H,7,8,9)