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

Systemtic Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonic acid Openeye Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-[(E)-styryl]benzenesulfonic acid CAS Name: 2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonic acid IUPAC Name: 2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonic acid Traditional Name: 2-[(E)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-[(E)-styryl]besylic acid Formula: C24H21NO7S2 MolecularWeight: 499.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)C=CC3=CC=CC=C3)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)/C=C/C3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H21NO7S2/c1-17(26)25-22-14-13-21(24(16-22)34(30,31)32)12-11-20-10-9-19(15-23(20)33(27,28)29)8-7-18-5-3-2-4-6-18/h2-16H,1H3,(H,25,26)(H,27,28,29)(H,30,31,32)/b8-7+,12-11+