phenacyl 2,6-bis[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: phenacyl 2,6-bis[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: phenacyl 2,6-bis(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 2,6-bis(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)hexanoic acid phenacyl ester IUPAC Name: phenacyl 2,6-bis(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 2,6-bis(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)hexanoic acid phenacyl ester Formula: C30H16Cl8N2O7 MolecularWeight: 800.08124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C(CCCCN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)N4C(=O)C5=C(C4=O)C(=C(C(=C5Cl)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C(CCCCN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)N4C(=O)C5=C(C4=O)C(=C(C(=C5Cl)Cl)Cl)Cl

InChI

InChI=1S/C30H16Cl8N2O7/c31-18-14-15(19(32)23(36)22(18)35)27(43)39(26(14)42)9-5-4-8-12(30(46)47-10-13(41)11-6-2-1-3-7-11)40-28(44)16-17(29(40)45)21(34)25(38)24(37)20(16)33/h1-3,6-7,12H,4-5,8-10H2