5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; triethylazanium

Systemtic Name: 5-azanyl-2-(4-azanyl-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; triethylazanium Openeye Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-benzenesulfonate; triethylammonium CAS Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; triethylammonium IUPAC Name: 5-amino-2-(4-amino-5-methyl-2-sulfonatophenyl)-4-methylbenzenesulfonate; triethylazanium Traditional Name: 5-amino-2-(4-amino-5-methyl-2-sulfonato-phenyl)-4-methyl-besylate; triethylammonium Formula: C26H46N4O6S2 MolecularWeight: 574.79664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.CC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)[O-])N)C)S(=O)(=O)[O-])N

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.CC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)[O-])N)C)S(=O)(=O)[O-])N

InChI

InChI=1S/C14H16N2O6S2.2C6H15N/c1-7-3-9(13(5-11(7)15)23(17,18)19)10-4-8(2)12(16)6-14(10)24(20,21)22;2*1-4-7(5-2)6-3/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22);2*4-6H2,1-3H3