2-tert-butylbenzenecarboperoxoic acid; 2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate

Systemtic Name: 2-tert-butylbenzenecarboperoxoic acid; 2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate Openeye Name: 2-tert-butylbenzenecarboperoxoic acid; 2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate CAS Name: 2-tert-butylbenzenecarboperoxoic acid; carbonic acid [2-ethylhexoxy(oxo)methoxy] 2-ethylhexyl ester IUPAC Name: 2-tert-butylbenzenecarboperoxoic acid; 2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate Traditional Name: 2-tert-butylperbenzoic acid; carbonic acid 2-ethylhexoxycarbonyloxy 2-ethylhexyl ester Formula: C29H48O9 MolecularWeight: 540.68602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC.CC(C)(C)C1=CC=CC=C1C(=O)OO

Isomeric SMILES

CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC.CC(C)(C)C1=CC=CC=C1C(=O)OO

InChI

InChI=1S/C18H34O6.C11H14O3/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2;1-11(2,3)9-7-5-4-6-8(9)10(12)14-13/h15-16H,5-14H2,1-4H3;4-7,13H,1-3H3