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

Systemtic Name: disodium 5-acetamido-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 5-acetamido-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: disodium 5-acetamido-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-acetamido-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 5-acetamido-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]besylate Formula: C16H12N2Na2O9S2 MolecularWeight: 486.38402

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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+](=O)[O-])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)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H14N2O9S2.2Na/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);;/q;2*+1/p-2/b3-2+;;