disodium 4-[2-[4-(dihydroxyboranyl)phenyl]hydrazinyl]-3-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[2-[4-(dihydroxyboranyl)phenyl]hydrazinyl]-3-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-[2-(4-boronophenyl)hydrazino]-3-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-[(4-boronophenyl)hydrazo]-3-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-[2-(4-boronophenyl)hydrazinyl]-3-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-[N'-(4-boronophenyl)hydrazino]-3-hydroxy-naphthalene-2,7-disulfonate Formula: C16H13BN2Na2O9S2 MolecularWeight: 498.20296

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)NNC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])(O)O.[Na+].[Na+]

Isomeric SMILES

B(C1=CC=C(C=C1)NNC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])(O)O.[Na+].[Na+]

InChI

InChI=1S/C16H15BN2O9S2.2Na/c20-16-14(30(26,27)28)8-9-7-12(29(23,24)25)5-6-13(9)15(16)19-18-11-3-1-10(2-4-11)17(21)22;;/h1-8,18-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2