4,6-bis(azanyl)benzene-1,3-disulfonate; tripentylazanium

Systemtic Name: 4,6-bis(azanyl)benzene-1,3-disulfonate; tripentylazanium Openeye Name: 4,6-diaminobenzene-1,3-disulfonate; tripentylammonium CAS Name: 4,6-diaminobenzene-1,3-disulfonate; tripentylammonium IUPAC Name: 4,6-diaminobenzene-1,3-disulfonate; tripentylazanium Traditional Name: 4,6-diaminobenzene-1,3-disulfonate; triamylammonium Formula: C36H74N4O6S2 MolecularWeight: 723.12596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC.CCCCC[NH+](CCCCC)CCCCC.C1=C(C(=CC(=C1N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.CCCCC[NH+](CCCCC)CCCCC.C1=C(C(=CC(=C1N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

InChI

InChI=1S/2C15H33N.C6H8N2O6S2/c2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h2*4-15H2,1-3H3;1-2H,7-8H2,(H,9,10,11)(H,12,13,14)