[1,1-bis[[(E)-but-2-enoyl]peroxy]-6-carboxylatooxy-hexyl] carbonate

Systemtic Name: [1,1-bis[[(E)-but-2-enoyl]peroxy]-6-carboxylatooxy-hexyl] carbonate Openeye Name: [1,1-bis[[(E)-but-2-enoyl]peroxy]-6-carboxylatooxy-hexyl] carbonate CAS Name: [6-carboxylatooxy-1,1-bis[[(E)-1-oxobut-2-enyl]dioxy]hexyl] carbonate IUPAC Name: [1,1-bis[[(E)-but-2-enoyl]peroxy]-6-carboxylatooxyhexyl] carbonate Traditional Name: [1,1-bis[[(E)-but-2-enoyl]peroxy]-6-carboxylatooxy-hexyl] carbonate Formula: C16H20O12-2 MolecularWeight: 404.3228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OOC(CCCCCOC(=O)[O-])(OC(=O)[O-])OOC(=O)C=CC

Isomeric SMILES

C/C=C/C(=O)OOC(OOC(=O)/C=C/C)(OC(=O)[O-])CCCCCOC(=O)[O-]

InChI

InChI=1S/C16H22O12/c1-3-8-12(17)25-27-16(24-15(21)22,28-26-13(18)9-4-2)10-6-5-7-11-23-14(19)20/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-2/b8-3+,9-4+