sodium 1-[(E)-octadec-9-enoyl]oxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[(E)-octadec-9-enoyl]oxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[(E)-octadec-9-enoyl]oxy-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 2,5-dioxo-1-[(E)-1-oxooctadec-9-enoxy]-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[(E)-octadec-9-enoyl]oxy-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 2,5-diketo-1-[(E)-octadec-9-enoyl]oxy-pyrrolidine-3-sulfonate Formula: C22H36NNaO7S MolecularWeight: 481.57851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H37NO7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)30-23-20(24)18-19(22(23)26)31(27,28)29;/h9-10,19H,2-8,11-18H2,1H3,(H,27,28,29);/q;+1/p-1/b10-9+;