[5-bromanyl-3,4-bis[(4-nitrophenyl)carbonyloxy]thiolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-bromanyl-3,4-bis[(4-nitrophenyl)carbonyloxy]thiolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-bromo-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydrothiophen-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-bromo-3,4-bis[(4-nitrophenyl)-oxomethoxy]-2-thiolanyl]methyl ester IUPAC Name: [5-bromo-3,4-bis[(4-nitrobenzoyl)oxy]thiolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-bromo-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydrothiophen-2-yl]methyl ester Formula: C26H18BrN3O12S MolecularWeight: 676.40302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2C(C(C(S2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2C(C(C(S2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H18BrN3O12S/c27-23-22(42-26(33)16-5-11-19(12-6-16)30(38)39)21(41-25(32)15-3-9-18(10-4-15)29(36)37)20(43-23)13-40-24(31)14-1-7-17(8-2-14)28(34)35/h1-12,20-23H,13H2