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

Systemtic Name: disodium 5-azanyl-2-[(E)-2-(4-benzamido-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: disodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 5-amino-2-[(E)-2-(4-benzamido-2-sulfonato-phenyl)vinyl]besylate Formula: C21H16N2Na2O7S2 MolecularWeight: 518.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H18N2O7S2.2Na/c22-17-10-8-14(19(12-17)31(25,26)27)6-7-15-9-11-18(13-20(15)32(28,29)30)23-21(24)16-4-2-1-3-5-16;;/h1-13H,22H2,(H,23,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b7-6+;;