2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-3-[2-(2-methyldecyl)-4,6-disulfo-phenoxy]propyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-3-[2-(2-methyldecyl)-4,6-disulfo-phenoxy]propyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-3-[2-(2-methyldecyl)-4,6-disulfo-phenoxy]propyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-3-[2-(2-methyldecyl)-4,6-disulfophenoxy]propyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-3-[2-(2-methyldecyl)-4,6-disulfophenoxy]propyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]-3-[2-(2-methyldecyl)-4,6-disulfo-phenoxy]propyl]amino]acetic acid Formula: C32H51N3O17S2 MolecularWeight: 813.88724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CC1=CC(=CC(=C1OCC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(C)CC1=CC(=CC(=C1OCC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H51N3O17S2/c1-3-4-5-6-7-8-9-22(2)12-23-13-25(53(46,47)48)14-26(54(49,50)51)32(23)52-21-24(35(19-30(42)43)20-31(44)45)15-33(16-27(36)37)10-11-34(17-28(38)39)18-29(40)41/h13-14,22,24H,3-12,15-21H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47,48)(H,49,50,51)