3-[1-(1-cyanooctadecyl)-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]naphthalene-1,2-disulfonic acid

Systemtic Name: 3-[1-(1-cyanooctadecyl)-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]naphthalene-1,2-disulfonic acid Openeye Name: 3-[1-(1-cyanooctadecyl)-2,5-dioxo-pyrrolidin-1-ium-1-yl]naphthalene-1,2-disulfonic acid CAS Name: 3-[1-(1-cyanooctadecyl)-2,5-dioxo-1-pyrrolidin-1-iumyl]naphthalene-1,2-disulfonic acid IUPAC Name: 3-[1-(1-cyanooctadecyl)-2,5-dioxopyrrolidin-1-ium-1-yl]naphthalene-1,2-disulfonic acid Traditional Name: 3-[1-(1-cyanooctadecyl)-2,5-diketo-pyrrolidin-1-ium-1-yl]naphthalene-1,2-disulfonic acid Formula: C33H47N2O8S2+ MolecularWeight: 663.86488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C#N)[N+]1(C(=O)CCC1=O)C2=CC3=CC=CC=C3C(=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C#N)[N+]1(C(=O)CCC1=O)C2=CC3=CC=CC=C3C(=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C33H46N2O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(25-34)35(30(36)22-23-31(35)37)29-24-26-19-17-18-21-28(26)32(44(38,39)40)33(29)45(41,42)43/h17-19,21,24,27H,2-16,20,22-23H2,1H3,(H-,38,39,40,41,42,43)/p+1