3-[1-[(E)-1-cyanodocos-1-enyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[1-[(E)-1-cyanodocos-1-enyl]-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-[1-[(E)-1-cyanodocos-1-enyl]-2,5-dioxo-pyrrolidin-1-ium-1-yl]-2-hydroxy-benzenesulfonic acid CAS Name: 3-[1-[(E)-1-cyanodocos-1-enyl]-2,5-dioxo-1-pyrrolidin-1-iumyl]-2-hydroxybenzenesulfonic acid IUPAC Name: 3-[1-[(E)-1-cyanodocos-1-enyl]-2,5-dioxopyrrolidin-1-ium-1-yl]-2-hydroxybenzenesulfonic acid Traditional Name: 3-[1-[(E)-1-cyanodocos-1-enyl]-2,5-diketo-pyrrolidin-1-ium-1-yl]-2-hydroxy-besylic acid Formula: C33H51N2O6S+ MolecularWeight: 603.83284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC=C(C#N)[N+]1(C(=O)CCC1=O)C2=C(C(=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC/C=C(\C#N)/[N+]1(C(=O)CCC1=O)C2=C(C(=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C33H50N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-28(27-34)35(31(36)25-26-32(35)37)29-23-21-24-30(33(29)38)42(39,40)41/h21-24H,2-20,25-26H2,1H3,(H-,38,39,40,41)/p+1/b28-22+