5-azanyl-2-[(E)-2-(4-azanyl-2-sulfonato-phenyl)ethenyl]benzenesulfonate; tributylazanium

Systemtic Name: 5-azanyl-2-[(E)-2-(4-azanyl-2-sulfonato-phenyl)ethenyl]benzenesulfonate; tributylazanium Openeye Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonato-phenyl)vinyl]benzenesulfonate; tributylammonium CAS Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate; tributylammonium IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate; tributylazanium Traditional Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonato-phenyl)vinyl]besylate; tributylammonium Formula: C38H68N4O6S2 MolecularWeight: 741.09972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.C1=CC(=C(C=C1N)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C14H14N2O6S2.2C12H27N/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;2*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);2*4-12H2,1-3H3/b2-1+;;