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Inherent Properties, Identifiers and References
ChemSpider ID: 1326210
Empirical Formula: C30H21F3O5
Molecular Weight: 518.4799
Nominal Mass: 518 Da
Average Mass: 518.4799 Da
Monoisotopic Mass: 518.134108 Da
Systematic Name: 3-(naphthalen-1-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl (3,​5-dimethylphenoxy)acetate
SMILES: FC(F)(F)C=3Oc2cc(OC(=O)COc1cc(cc(c1)C)C)ccc2C(=O)C=3c5c4ccccc4ccc​5 Copy
InChI: InChI=1/C30H21F3O5/c1-17-12-18(2)14-21(13-17)36-16-26(34)37-20-10​-11-24-25(15-20)38-29(30(31,32)33)27(28(24)35)23-9-5-7-19-6-3-4-8​-22(19)23/h3-15H,16H2,1-2H3 Copy
InChIKey: AAPOBKOOWGXFJO-UHFFFAOYAC
Std. InChI: InChI=1S/C30H21F3O5/c1-17-12-18(2)14-21(13-17)36-16-26(34)37-20-1​0-11-24-25(15-20)38-29(30(31,32)33)27(28(24)35)23-9-5-7-19-6-3-4-​8-22(19)23/h3-15H,16H2,1-2H3 Copy
Std. InChIKey: AAPOBKOOWGXFJO-UHFFFAOYSA-N
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