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

Systemtic Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonate Openeye Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]-5-(methoxymethylamino)benzenesulfonate CAS Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonate IUPAC Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-(methoxymethylamino)benzenesulfonate Traditional Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]-5-(methoxymethylamino)besylate Formula: C18H18N2Na2O8S2 MolecularWeight: 500.45366

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H20N2O8S2.2Na/c1-12(21)20-16-8-6-14(18(10-16)30(25,26)27)4-3-13-5-7-15(19-11-28-2)9-17(13)29(22,23)24;;/h3-10,19H,11H2,1-2H3,(H,20,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b4-3+;;