Specification: |
Descriptors computed from structure, you can know some information about 1-Nitro-4-pyrenol (CAS NO.91254-96-5) :
Canonical SMILES: C1=CC2=C3C(=C1)C=C(C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2)O
InChI: InChI=1S/C16H9NO3/c18-14-8-10-3-1-2-9-4-5-11-13(17(19)20)7-6-12(14)16(11)15(9)10/h1-8,18H
InChIKey: QDCYNNFGMVNKEX-UHFFFAOYSA-N
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