Specification: |
Descriptors computed from structure, you can know some information about 1,3,6-Trinitropyrene (CAS NO.75321-19-6) :
SMILES: [O-][N+](=O)c1ccc4c3c1ccc2c(cc([N+]([O-])=O)c(c23)cc4)[N+]([O-])=O Copy
InChI: InChI=1/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H
InChIKey: BXOXVTWMJCUYLW-UHFFFAOYAY
Std. InChI: InChI=1S/C16H7N3O6/c20-17(21)12-6-2-8-1-3-10-13(18(22)23)7-14(19(24)25)11-5-4-9(12)15(8)16(10)11/h1-7H
Std. InChIKey: BXOXVTWMJCUYLW-UHFFFAOYSA-N
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