disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonate

Systemtic Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonate Openeye Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]-5-[(E)-styryl]benzenesulfonate CAS Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonate IUPAC Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-[(E)-2-phenylethenyl]benzenesulfonate Traditional Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]-5-[(E)-styryl]besylate Formula: C24H19NNa2O7S2 MolecularWeight: 543.5197

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C24H21NO7S2.2Na/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);;/q;2*+1/p-2/b8-7+,12-11+;;