disodium 5-acetamido-2-(4-acetamido-2-sulfonato-phenyl)benzenesulfonate

Systemtic Name: disodium 5-acetamido-2-(4-acetamido-2-sulfonato-phenyl)benzenesulfonate Openeye Name: disodium 5-acetamido-2-(4-acetamido-2-sulfonato-phenyl)benzenesulfonate CAS Name: disodium 5-acetamido-2-(4-acetamido-2-sulfonatophenyl)benzenesulfonate IUPAC Name: disodium 5-acetamido-2-(4-acetamido-2-sulfonatophenyl)benzenesulfonate Traditional Name: disodium 5-acetamido-2-(4-acetamido-2-sulfonato-phenyl)besylate Formula: C16H14N2Na2O8S2 MolecularWeight: 472.4005

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H16N2O8S2.2Na/c1-9(19)17-11-3-5-13(15(7-11)27(21,22)23)14-6-4-12(18-10(2)20)8-16(14)28(24,25)26;;/h3-8H,1-2H3,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2