5-benzamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-benzamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-benzamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-benzamido-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-benzamido-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-benzamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylic acid Formula: C21H16N2O9S2 MolecularWeight: 504.48974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O9S2/c24-21(16-4-2-1-3-5-16)22-17-10-8-14(19(12-17)33(27,28)29)6-7-15-9-11-18(23(25)26)13-20(15)34(30,31)32/h1-13H,(H,22,24)(H,27,28,29)(H,30,31,32)/b7-6+