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

Systemtic Name: 4,6-bis(azanyl)benzene-1,3-disulfonate; tributylazanium Openeye Name: 4,6-diaminobenzene-1,3-disulfonate; tributylammonium CAS Name: 4,6-diaminobenzene-1,3-disulfonate; tributylammonium IUPAC Name: 4,6-diaminobenzene-1,3-disulfonate; tributylazanium Traditional Name: 4,6-diaminobenzene-1,3-disulfonate; tributylammonium Formula: C30H62N4O6S2 MolecularWeight: 638.96648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H27N.C6H8N2O6S2/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h2*4-12H2,1-3H3;1-2H,7-8H2,(H,9,10,11)(H,12,13,14)