2-azaniumylethylazanium; 2,3-di(nonyl)naphthalene-1-sulfonate

Systemtic Name: 2-azaniumylethylazanium; 2,3-di(nonyl)naphthalene-1-sulfonate Openeye Name: 2-azaniumylethylammonium; 2,3-di(nonyl)naphthalene-1-sulfonate CAS Name: 2-ammonioethylammonium; 2,3-di(nonyl)-1-naphthalenesulfonate IUPAC Name: 2-azaniumylethylazanium; 2,3-di(nonyl)naphthalene-1-sulfonate Traditional Name: 2-ammonioethylammonium; 2,3-di(nonyl)naphthalene-1-sulfonate Formula: C116H192N4O12S4 MolecularWeight: 1963.04528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+]

Isomeric SMILES

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+]

InChI

InChI=1S/4C28H44O3S.2C2H8N2/c4*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;2*3-1-2-4/h4*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);2*1-4H2