4,5-bis[(2,4-dinitrophenyl)amino]-2-(hydroxymethyl)-6-phenylmethoxy-oxan-3-ol

Systemtic Name: 4,5-bis[(2,4-dinitrophenyl)amino]-2-(hydroxymethyl)-6-phenylmethoxy-oxan-3-ol Openeye Name: 6-benzyloxy-4,5-bis(2,4-dinitroanilino)-2-(hydroxymethyl)tetrahydropyran-3-ol CAS Name: 4,5-bis(2,4-dinitroanilino)-2-(hydroxymethyl)-6-phenylmethoxy-3-oxanol IUPAC Name: 4,5-bis(2,4-dinitroanilino)-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-ol Traditional Name: 6-benzoxy-4,5-bis(2,4-dinitroanilino)-2-methylol-tetrahydropyran-3-ol Formula: C25H24N6O12 MolecularWeight: 600.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O12/c32-12-21-24(33)22(26-17-8-6-15(28(34)35)10-19(17)30(38)39)23(25(43-21)42-13-14-4-2-1-3-5-14)27-18-9-7-16(29(36)37)11-20(18)31(40)41/h1-11,21-27,32-33H,12-13H2