(4-nitrophenyl) (4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-6-(1-ethoxyethoxy)-7-[3-[3-(1-ethoxyethoxy)pentan-2-yl]oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxidanylidene-1-oxacyclododec-4-ene-6-carboperoxoate

Systemtic Name: (4-nitrophenyl) (4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-6-(1-ethoxyethoxy)-7-[3-[3-(1-ethoxyethoxy)pentan-2-yl]oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxidanylidene-1-oxacyclododec-4-ene-6-carboperoxoate Openeye Name: (4-nitrophenyl) (4Z)-7,10-bis(1-ethoxyethoxy)-2-[(1E,3E)-5-(1-ethoxyethoxy)-6-[3-[2-(1-ethoxyethoxy)-1-methyl-butyl]oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-ene-6-carboperoxoate CAS Name: (4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-6-(1-ethoxyethoxy)-7-[3-[3-(1-ethoxyethoxy)pentan-2-yl]-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-ene-6-carboperoxoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-6-(1-ethoxyethoxy)-7-[3-[3-(1-ethoxyethoxy)pentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-ene-6-carboperoxoate Traditional Name: (4Z)-7,10-bis(1-ethoxyethoxy)-2-[(1E,3E)-5-(1-ethoxyethoxy)-6-[3-[2-(1-ethoxyethoxy)-1-methyl-butyl]oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-12-keto-3,7-dimethyl-1-oxacyclododec-4-ene-6-carboperoxoic acid (4-nitrophenyl) ester Formula: C51H81NO16 MolecularWeight: 964.18594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)OC(C)OCC)(C)OC(C)OCC)C(=O)OOC3=CC=C(C=C3)[N+](=O)[O-])C)OC(C)OCC)OC(C)OCC

Isomeric SMILES

CCC(C(C)C1C(O1)CC(C)(/C=C/C=C(\C)/C2C(/C=C\C(C(CCC(CC(=O)O2)OC(C)OCC)(C)OC(C)OCC)C(=O)OOC3=CC=C(C=C3)[N+](=O)[O-])C)OC(C)OCC)OC(C)OCC

InChI

InChI=1S/C51H81NO16/c1-15-44(62-37(10)58-17-3)35(8)48-45(63-48)32-50(13,65-38(11)59-18-4)29-20-21-33(6)47-34(7)22-27-43(49(54)68-67-41-25-23-40(24-26-41)52(55)56)51(14,66-39(12)60-19-5)30-28-42(31-46(53)64-47)61-36(9)57-16-2/h20-27,29,34-39,42-45,47-48H,15-19,28,30-32H2,1-14H3/b27-22-,29-20+,33-21+