[1-[(E)-but-2-enoyl]peroxy-1,6-dicarboxyoxy-hexyl] (E)-but-2-eneperoxoate

Systemtic Name: [1-[(E)-but-2-enoyl]peroxy-1,6-dicarboxyoxy-hexyl] (E)-but-2-eneperoxoate Openeye Name: [1-[(E)-but-2-enoyl]peroxy-1,6-dicarboxyoxy-hexyl] (E)-but-2-eneperoxoate CAS Name: (E)-2-buteneperoxoic acid [1,6-dicarboxyoxy-1-[(E)-1-oxobut-2-enyl]dioxyhexyl] ester IUPAC Name: [1-[(E)-but-2-enoyl]peroxy-1,6-dicarboxyoxyhexyl] (E)-but-2-eneperoxoate Traditional Name: (E)-but-2-eneperoxoic acid [1-[(E)-but-2-enoyl]peroxy-1,6-dicarboxyoxy-hexyl] ester Formula: C16H22O12 MolecularWeight: 406.33868

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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)/b8-3+,9-4+