sodium 3,5-bis[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: sodium 3,5-bis[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: sodium 3,5-bis(2,5-dioxopyrrol-1-yl)benzoate CAS Name: sodium 3,5-bis(2,5-dioxo-1-pyrrolyl)benzoate IUPAC Name: sodium 3,5-bis(2,5-dioxopyrrol-1-yl)benzoate Traditional Name: sodium 3,5-dimaleimidobenzoate Formula: C15H7N2NaO6 MolecularWeight: 334.21565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)[O-])N3C(=O)C=CC3=O.[Na+]

Isomeric SMILES

C1=CC(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)[O-])N3C(=O)C=CC3=O.[Na+]

InChI

InChI=1S/C15H8N2O6.Na/c18-11-1-2-12(19)16(11)9-5-8(15(22)23)6-10(7-9)17-13(20)3-4-14(17)21;/h1-7H,(H,22,23);/q;+1/p-1