2-azanyl-5-(4-azanyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate; tributylazanium

Systemtic Name: 2-azanyl-5-(4-azanyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate; tributylazanium Openeye Name: 2-amino-5-(4-amino-3-sulfonato-phenyl)sulfonyl-benzenesulfonate; tributylammonium CAS Name: 2-amino-5-(4-amino-3-sulfonatophenyl)sulfonylbenzenesulfonate; tributylammonium IUPAC Name: 2-amino-5-(4-amino-3-sulfonatophenyl)sulfonylbenzenesulfonate; tributylazanium Traditional Name: 2-amino-5-(4-amino-3-sulfonato-phenyl)sulfonyl-besylate; tributylammonium Formula: C36H66N4O8S3 MolecularWeight: 779.12624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N

InChI

InChI=1S/C12H12N2O8S3.2C12H27N/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;2*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-6H,13-14H2,(H,17,18,19)(H,20,21,22);2*4-12H2,1-3H3