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1-methyl-2,4,7-trinitro-xanthen-9-one

1-methyl-2,4,7-trinitro-xanthen-9-one

Systemtic Name:1-methyl-2,4,7-trinitro-xanthen-9-one
Openeye Name:1-methyl-2,4,7-trinitro-xanthen-9-one
CAS Name:1-methyl-2,4,7-trinitro-9-xanthenone
IUPAC Name:1-methyl-2,4,7-trinitroxanthen-9-one
Traditional Name:1-methyl-2,4,7-trinitro-xanthone
Formula: C14H7N3O8
MolecularWeight: 345.22068
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CC1=C2C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C14H7N3O8/c1-6-9(16(21)22)5-10(17(23)24)14-12(6)13(18)8-4-7(15(19)20)2-3-11(8)25-14/h2-5H,1H3


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