Specification: |
Descriptors Computed from Structure about 12-Ethyl-7-Methylbenz(A)Anthracene(CAS NO.16354-55-5) is:
Canonical SMILES: CCC1=C2C(=C(C3=CC=CC=C31)C)C=CC4=CC=CC=C42
InChI: InChI=1S/C21H18/c1-3-16-20-11-7-6-9-17(20)14(2)18-13-12-15-8-4-5-10-19(15)21(16)18/h4-13H,3H2,1-2H3
InChIKey: FTMBVQWARWOALX-UHFFFAOYSA-N
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