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

Systemtic Name: 5-acetamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-acetamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-acetamido-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-acetamido-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-acetamido-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylic acid Formula: C16H14N2O9S2 MolecularWeight: 442.42036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O9S2/c1-10(19)17-13-6-4-11(15(8-13)28(22,23)24)2-3-12-5-7-14(18(20)21)9-16(12)29(25,26)27/h2-9H,1H3,(H,17,19)(H,22,23,24)(H,25,26,27)/b3-2+