2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-5-nitro-benzenesulfonate

Systemtic Name: 2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-5-nitro-benzenesulfonate Openeye Name: 2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-nitro-benzenesulfonate CAS Name: 2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-5-nitrobenzenesulfonate IUPAC Name: 2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-5-nitrobenzenesulfonate Traditional Name: 2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-nitro-besylate Formula: C14H11N2O8S2- MolecularWeight: 399.37574

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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-]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C14H12N2O8S2/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)/p-1/b2-1+