disodium 2-[(Z)-2-(4-aminophenyl)-1-sulfonato-ethenyl]-5-nitro-benzenesulfonate

Systemtic Name: disodium 2-[(Z)-2-(4-aminophenyl)-1-sulfonato-ethenyl]-5-nitro-benzenesulfonate Openeye Name: disodium 2-[(Z)-2-(4-aminophenyl)-1-sulfonato-vinyl]-5-nitro-benzenesulfonate CAS Name: disodium 2-[(Z)-2-(4-aminophenyl)-1-sulfonatoethenyl]-5-nitrobenzenesulfonate IUPAC Name: disodium 2-[(Z)-2-(4-aminophenyl)-1-sulfonatoethenyl]-5-nitrobenzenesulfonate Traditional Name: disodium 2-[(Z)-2-(4-aminophenyl)-1-sulfonato-vinyl]-5-nitro-besylate Formula: C14H10N2Na2O8S2 MolecularWeight: 444.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O8S2.2Na/c15-10-3-1-9(2-4-10)7-13(25(19,20)21)12-6-5-11(16(17)18)8-14(12)26(22,23)24;;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b13-7-;;