5-nitramido-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-nitramido-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-nitramido-2-[(E)-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 5-nitramido-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-nitramido-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-nitramido-2-[(E)-2-(2-sulfophenyl)vinyl]besylic acid Formula: C14H12N2O8S2 MolecularWeight: 400.38368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O8S2/c17-16(18)15-12-8-7-11(14(9-12)26(22,23)24)6-5-10-3-1-2-4-13(10)25(19,20)21/h1-9,15H,(H,19,20,21)(H,22,23,24)/b6-5+