2-[(3-methylphenyl)methoxy]-1,3,5-trinitro-benzene

Systemtic Name: 2-[(3-methylphenyl)methoxy]-1,3,5-trinitro-benzene Openeye Name: 2-(m-tolylmethoxy)-1,3,5-trinitro-benzene CAS Name: 2-[(3-methylphenyl)methoxy]-1,3,5-trinitrobenzene IUPAC Name: 2-[(3-methylphenyl)methoxy]-1,3,5-trinitrobenzene Traditional Name: 2-(3-methylbenzyl)oxy-1,3,5-trinitro-benzene Formula: C14H11N3O7 MolecularWeight: 333.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O7/c1-9-3-2-4-10(5-9)8-24-14-12(16(20)21)6-11(15(18)19)7-13(14)17(22)23/h2-7H,8H2,1H3