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

Systemtic Name: 5-azanyl-2-[(E)-2-(4-azanyl-2-sulfonato-phenyl)ethenyl]benzenesulfonate; tripentylazanium Openeye Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonato-phenyl)vinyl]benzenesulfonate; tripentylammonium CAS Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate; tripentylammonium IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate; tripentylazanium Traditional Name: 5-amino-2-[(E)-2-(4-amino-2-sulfonato-phenyl)vinyl]besylate; triamylammonium Formula: C44H80N4O6S2 MolecularWeight: 825.2592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.CCCCC[NH+](CCCCC)CCCCC.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/2C15H33N.C14H14N2O6S2/c2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h2*4-15H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b;;2-1+