disodium 4-[3-[2-[3-(4-sulfonatobutoxy)phenyl]hydrazinyl]phenoxy]butane-1-sulfonate

Systemtic Name: disodium 4-[3-[2-[3-(4-sulfonatobutoxy)phenyl]hydrazinyl]phenoxy]butane-1-sulfonate Openeye Name: disodium 4-[3-[2-[3-(4-sulfonatobutoxy)phenyl]hydrazino]phenoxy]butane-1-sulfonate CAS Name: disodium 4-[3-[[3-(4-sulfonatobutoxy)phenyl]hydrazo]phenoxy]-1-butanesulfonate IUPAC Name: disodium 4-[3-[2-[3-(4-sulfonatobutoxy)phenyl]hydrazinyl]phenoxy]butane-1-sulfonate Traditional Name: disodium 4-[3-[N'-[3-(4-sulfonatobutoxy)phenyl]hydrazino]phenoxy]butane-1-sulfonate Formula: C20H26N2Na2O8S2 MolecularWeight: 532.53858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCS(=O)(=O)[O-])NNC2=CC(=CC=C2)OCCCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCS(=O)(=O)[O-])NNC2=CC(=CC=C2)OCCCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H28N2O8S2.2Na/c23-31(24,25)13-3-1-11-29-19-9-5-7-17(15-19)21-22-18-8-6-10-20(16-18)30-12-2-4-14-32(26,27)28;;/h5-10,15-16,21-22H,1-4,11-14H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2