2-ethylhexyl 4-hexylbenzenecarboperoxoate

Systemtic Name: 2-ethylhexyl 4-hexylbenzenecarboperoxoate Openeye Name: 2-ethylhexyl 4-hexylbenzenecarboperoxoate CAS Name: 4-hexylbenzenecarboperoxoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-hexylbenzenecarboperoxoate Traditional Name: 4-hexylbenzenecarboperoxoic acid 2-ethylhexyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OOCC(CC)CCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OOCC(CC)CCCC

InChI

InChI=1S/C21H34O3/c1-4-7-9-10-12-19-13-15-20(16-14-19)21(22)24-23-17-18(6-3)11-8-5-2/h13-16,18H,4-12,17H2,1-3H3