2-(hexadecylamino)ethane-1,1-disulfonic acid

Systemtic Name: 2-(hexadecylamino)ethane-1,1-disulfonic acid Openeye Name: 2-(hexadecylamino)ethane-1,1-disulfonic acid CAS Name: 2-(hexadecylamino)ethane-1,1-disulfonic acid IUPAC Name: 2-(hexadecylamino)ethane-1,1-disulfonic acid Traditional Name: 2-(cetylamino)ethane-1,1-disulfonic acid Formula: C18H39NO6S2 MolecularWeight: 429.63536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCC(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNCC(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H39NO6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(26(20,21)22)27(23,24)25/h18-19H,2-17H2,1H3,(H,20,21,22)(H,23,24,25)