sodium 6-[[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]amino]naphthalene-2-sulfonate

Systemtic Name: sodium 6-[[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]amino]naphthalene-2-sulfonate Openeye Name: sodium 6-[4-(2,5-dioxopyrrol-1-yl)anilino]naphthalene-2-sulfonate CAS Name: sodium 6-[4-(2,5-dioxo-1-pyrrolyl)anilino]-2-naphthalenesulfonate IUPAC Name: sodium 6-[4-(2,5-dioxopyrrol-1-yl)anilino]naphthalene-2-sulfonate Traditional Name: sodium 6-(4-maleimidoanilino)naphthalene-2-sulfonate Formula: C20H13N2NaO5S MolecularWeight: 416.38239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-])N4C(=O)C=CC4=O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-])N4C(=O)C=CC4=O.[Na+]

InChI

InChI=1S/C20H14N2O5S.Na/c23-19-9-10-20(24)22(19)17-6-4-15(5-7-17)21-16-3-1-14-12-18(28(25,26)27)8-2-13(14)11-16;/h1-12,21H,(H,25,26,27);/q;+1/p-1