disodium 1-[[4-[4-(1-sulfonatoethylamino)phenyl]sulfonylphenyl]amino]ethanesulfonate

Systemtic Name: disodium 1-[[4-[4-(1-sulfonatoethylamino)phenyl]sulfonylphenyl]amino]ethanesulfonate Openeye Name: disodium 1-[4-[4-(1-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate CAS Name: disodium 1-[4-[4-(1-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate IUPAC Name: disodium 1-[4-[4-(1-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate Traditional Name: disodium 1-[4-[4-(1-sulfonatoethylamino)phenyl]sulfonylanilino]ethanesulfonate Formula: C16H18N2Na2O8S3 MolecularWeight: 508.49726

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H20N2O8S3.2Na/c1-11(28(21,22)23)17-13-3-7-15(8-4-13)27(19,20)16-9-5-14(6-10-16)18-12(2)29(24,25)26;;/h3-12,17-18H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2