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

Systemtic Name: disodium 2-(4-acetamido-2-sulfonato-phenyl)-5-(methoxymethylamino)benzenesulfonate Openeye Name: disodium 2-(4-acetamido-2-sulfonato-phenyl)-5-(methoxymethylamino)benzenesulfonate CAS Name: disodium 2-(4-acetamido-2-sulfonatophenyl)-5-(methoxymethylamino)benzenesulfonate IUPAC Name: disodium 2-(4-acetamido-2-sulfonatophenyl)-5-(methoxymethylamino)benzenesulfonate Traditional Name: disodium 2-(4-acetamido-2-sulfonato-phenyl)-5-(methoxymethylamino)besylate Formula: C16H16N2Na2O8S2 MolecularWeight: 474.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H18N2O8S2.2Na/c1-10(19)18-12-4-6-14(16(8-12)28(23,24)25)13-5-3-11(17-9-26-2)7-15(13)27(20,21)22;;/h3-8,17H,9H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2