disodium 2-[(Z)-(3-acetamido-4-oxidanidyl-phenyl)-(3-acetamido-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate

Systemtic Name: disodium 2-[(Z)-(3-acetamido-4-oxidanidyl-phenyl)-(3-acetamido-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate Openeye Name: disodium 2-[(Z)-(3-acetamido-4-oxido-phenyl)-(3-acetamido-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate CAS Name: disodium 2-[(Z)-(3-acetamido-4-oxidophenyl)-(3-acetamido-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate IUPAC Name: disodium 2-[(Z)-(3-acetamido-4-oxidophenyl)-(3-acetamido-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate Traditional Name: disodium 2-[(Z)-(3-acetamido-4-keto-cyclohexa-2,5-dien-1-ylidene)-(3-acetamido-4-oxido-phenyl)methyl]benzoate Formula: C24H18N2Na2O6 MolecularWeight: 476.38906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C2=CC(=C(C=C2)[O-])NC(=O)C)C3=CC=CC=C3C(=O)[O-])C=CC1=O.[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C/C(=C(/C2=CC(=C(C=C2)[O-])NC(=O)C)\C3=CC=CC=C3C(=O)[O-])/C=CC1=O.[Na+].[Na+]

InChI

InChI=1S/C24H20N2O6.2Na/c1-13(27)25-19-11-15(7-9-21(19)29)23(17-5-3-4-6-18(17)24(31)32)16-8-10-22(30)20(12-16)26-14(2)28;;/h3-12,29H,1-2H3,(H,25,27)(H,26,28)(H,31,32);;/q;2*+1/p-2/b23-16-;;