4-[2-(hydroxymethyl)-6-(4-nitrophenoxy)-4,5-bis(4-oxidanylidenepent-1-en-2-ylperoxy)oxan-3-yl]peroxypent-4-en-2-one

Systemtic Name: 4-[2-(hydroxymethyl)-6-(4-nitrophenoxy)-4,5-bis(4-oxidanylidenepent-1-en-2-ylperoxy)oxan-3-yl]peroxypent-4-en-2-one Openeye Name: 4-[2-(hydroxymethyl)-4,5-bis[(1-methylene-3-oxo-butyl)peroxy]-6-(4-nitrophenoxy)tetrahydropyran-3-yl]peroxypent-4-en-2-one CAS Name: 4-[[2-(hydroxymethyl)-6-(4-nitrophenoxy)-4,5-bis(4-oxopent-1-en-2-yldioxy)-3-oxanyl]dioxy]-4-penten-2-one IUPAC Name: 4-[2-(hydroxymethyl)-6-(4-nitrophenoxy)-4,5-bis(4-oxopent-1-en-2-ylperoxy)oxan-3-yl]peroxypent-4-en-2-one Traditional Name: 4-[4,5-bis(1-acetonylvinylperoxy)-2-methylol-6-(4-nitrophenoxy)tetrahydropyran-3-yl]peroxypent-4-en-2-one Formula: C27H33NO14 MolecularWeight: 595.54922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=C)OOC1C(OC(C(C1OOC(=C)CC(=O)C)OOC(=C)CC(=O)C)OC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

CC(=O)CC(=C)OOC1C(OC(C(C1OOC(=C)CC(=O)C)OOC(=C)CC(=O)C)OC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C27H33NO14/c1-15(30)11-18(4)37-40-24-23(14-29)36-27(35-22-9-7-21(8-10-22)28(33)34)26(42-39-20(6)13-17(3)32)25(24)41-38-19(5)12-16(2)31/h7-10,23-27,29H,4-6,11-14H2,1-3H3