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

Systemtic Name: disodium 5-acetamido-2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 5-acetamido-2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: disodium 5-acetamido-2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-acetamido-2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 5-acetamido-2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]besylate Formula: C18H16N2Na2O8S2 MolecularWeight: 498.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)NC(=O)C)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)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H18N2O8S2.2Na/c1-11(21)19-15-7-5-13(17(9-15)29(23,24)25)3-4-14-6-8-16(20-12(2)22)10-18(14)30(26,27)28;;/h3-10H,1-2H3,(H,19,21)(H,20,22)(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b4-3+;;