disodium 5-azanyl-2-[2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate

Systemtic Name: disodium 5-azanyl-2-[2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 5-amino-2-[2-(4-nitro-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: disodium 5-amino-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-amino-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 5-amino-2-[2-(4-nitro-2-sulfonato-phenyl)vinyl]besylate Formula: C14H10N2Na2O8S2 MolecularWeight: 444.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H12N2O8S2.2Na/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24;;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2