Specification: |
Descriptors computed from structure, you can know some information about 1,11-Dimethylchrysene (CAS NO.52171-92-3 ) :
Canonical SMILES: CC1=CC=CC2=C3C=CC4=CC=CC=C4C3=C(C=C12)C
InChI: InChI=1S/C20H16/c1-13-6-5-9-17-18-11-10-15-7-3-4-8-16(15)20(18)14(2)12-19(13)17/h3-12H,1-2H3
InChIKey: HCLIIKXGJGYUBQ-UHFFFAOYSA-N
Exact Mass: 256.125201
MonoIsotopic Mass: 256.125201
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