Specification: |
Descriptors computed from structure, you can know some information about 10-Butyryl dithranol (CAS NO.75464-11-8) :
Canonical SMILES: CCCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
InChI: InChI=1S/C18H16O4/c1-2-5-12(19)15-10-6-3-8-13(20)16(10)18(22)17-11(15)7-
4-9-14(17)21/h3-4,6-9,15,20-21H,2,5H2,1H3
InChIKey: AHZXFRRDQXXPJD-UHFFFAOYSA-N
Exact Mass: 296.104859
MonoIsotopic Mass: 296.104859
Topological Polar Surface Area: 74.6
Heavy Atom Count: 22
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