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

Systemtic Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)ethenyl]-5-azanyl-benzenesulfonic acid Openeye Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-amino-benzenesulfonic acid CAS Name: 2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-5-aminobenzenesulfonic acid IUPAC Name: 2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-5-aminobenzenesulfonic acid Traditional Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-amino-besylic acid Formula: C16H16N2O7S2 MolecularWeight: 412.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N)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)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H16N2O7S2/c1-10(19)18-14-7-5-12(16(9-14)27(23,24)25)3-2-11-4-6-13(17)8-15(11)26(20,21)22/h2-9H,17H2,1H3,(H,18,19)(H,20,21,22)(H,23,24,25)/b3-2+