disodium 2-[[4-[4-(2-sulfonatoethylamino)phenyl]sulfonylphenyl]amino]ethanesulfonate

Systemtic Name: disodium 2-[[4-[4-(2-sulfonatoethylamino)phenyl]sulfonylphenyl]amino]ethanesulfonate Openeye Name: disodium 2-[4-[4-(2-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate CAS Name: disodium 2-[4-[4-(2-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate IUPAC Name: disodium 2-[4-[4-(2-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate Traditional Name: disodium 2-[4-[4-(2-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate Formula: C16H18N2Na2O8S3 MolecularWeight: 508.49726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCS(=O)(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCCS(=O)(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H20N2O8S3.2Na/c19-27(20,21)11-9-17-13-1-5-15(6-2-13)29(25,26)16-7-3-14(4-8-16)18-10-12-28(22,23)24;;/h1-8,17-18H,9-12H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2