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

Systemtic Name: 2-azanyl-5-(4-azanyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate; tripentylazanium Openeye Name: 2-amino-5-(4-amino-3-sulfonato-phenyl)sulfonyl-benzenesulfonate; tripentylammonium CAS Name: 2-amino-5-(4-amino-3-sulfonatophenyl)sulfonylbenzenesulfonate; tripentylammonium IUPAC Name: 2-amino-5-(4-amino-3-sulfonatophenyl)sulfonylbenzenesulfonate; tripentylazanium Traditional Name: 2-amino-5-(4-amino-3-sulfonato-phenyl)sulfonyl-besylate; triamylammonium Formula: C42H78N4O8S3 MolecularWeight: 863.28572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.CCCCC[NH+](CCCCC)CCCCC.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/2C15H33N.C12H12N2O8S3/c2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22/h2*4-15H2,1-3H3;1-6H,13-14H2,(H,17,18,19)(H,20,21,22)