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

Systemtic Name: [6-bromanyl-3,4-bis[(4-nitrophenyl)carbonyloxy]-5-phenylmethoxy-oxan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-benzyloxy-6-bromo-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydropyran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-bromo-3,4-bis[(4-nitrophenyl)-oxomethoxy]-5-phenylmethoxy-2-oxanyl]methyl ester IUPAC Name: [6-bromo-3,4-bis[(4-nitrobenzoyl)oxy]-5-phenylmethoxyoxan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-benzoxy-6-bromo-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydropyran-2-yl]methyl ester Formula: C34H26BrN3O14 MolecularWeight: 780.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(OC2Br)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2C(C(C(OC2Br)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H26BrN3O14/c35-31-30(48-18-20-4-2-1-3-5-20)29(52-34(41)23-10-16-26(17-11-23)38(46)47)28(51-33(40)22-8-14-25(15-9-22)37(44)45)27(50-31)19-49-32(39)21-6-12-24(13-7-21)36(42)43/h1-17,27-31H,18-19H2