disodium [[4-[5-[4-(sulfonatomethylamino)phenoxy]pentoxy]phenyl]amino]methanesulfonate

Systemtic Name: disodium [[4-[5-[4-(sulfonatomethylamino)phenoxy]pentoxy]phenyl]amino]methanesulfonate Openeye Name: disodium [4-[5-[4-(sulfonatomethylamino)phenoxy]pentoxy]anilino]methanesulfonate CAS Name: disodium [4-[5-[4-(sulfonatomethylamino)phenoxy]pentoxy]anilino]methanesulfonate IUPAC Name: disodium [4-[5-[4-(sulfonatomethylamino)phenoxy]pentoxy]anilino]methanesulfonate Traditional Name: disodium [4-[5-[4-(sulfonatomethylamino)phenoxy]pentoxy]anilino]methanesulfonate Formula: C19H24N2Na2O8S2 MolecularWeight: 518.512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])OCCCCCOC2=CC=C(C=C2)NCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])OCCCCCOC2=CC=C(C=C2)NCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H26N2O8S2.2Na/c22-30(23,24)14-20-16-4-8-18(9-5-16)28-12-2-1-3-13-29-19-10-6-17(7-11-19)21-15-31(25,26)27;;/h4-11,20-21H,1-3,12-15H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2