disodium 4-[2-[2-[2-(4-sulfonatophenyl)ethylamino]ethylamino]ethyl]benzenesulfonate

Systemtic Name: disodium 4-[2-[2-[2-(4-sulfonatophenyl)ethylamino]ethylamino]ethyl]benzenesulfonate Openeye Name: disodium 4-[2-[2-[2-(4-sulfonatophenyl)ethylamino]ethylamino]ethyl]benzenesulfonate CAS Name: disodium 4-[2-[2-[2-(4-sulfonatophenyl)ethylamino]ethylamino]ethyl]benzenesulfonate IUPAC Name: disodium 4-[2-[2-[2-(4-sulfonatophenyl)ethylamino]ethylamino]ethyl]benzenesulfonate Traditional Name: disodium 4-[2-[2-[2-(4-sulfonatophenyl)ethylamino]ethylamino]ethyl]besylate Formula: C18H22N2Na2O6S2 MolecularWeight: 472.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCCNCCC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCNCCNCCC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H24N2O6S2.2Na/c21-27(22,23)17-5-1-15(2-6-17)9-11-19-13-14-20-12-10-16-3-7-18(8-4-16)28(24,25)26;;/h1-8,19-20H,9-14H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2