sodium (Z)-[2,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanesulfonate

Systemtic Name: sodium (Z)-[2,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanesulfonate Openeye Name: sodium (Z)-(2,5-dioxopyrrolidin-3-ylidene)-phenyl-methanesulfonate CAS Name: sodium (Z)-(2,5-dioxo-3-pyrrolidinylidene)-phenylmethanesulfonate IUPAC Name: sodium (Z)-(2,5-dioxopyrrolidin-3-ylidene)-phenylmethanesulfonate Traditional Name: sodium (Z)-(2,5-diketopyrrolidin-3-ylidene)-phenyl-methanesulfonate Formula: C11H8NNaO5S MolecularWeight: 289.23969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=CC=CC=C2)S(=O)(=O)[O-])C(=O)NC1=O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO5S.Na/c13-9-6-8(11(14)12-9)10(18(15,16)17)7-4-2-1-3-5-7;/h1-5H,6H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1/b10-8-;