焦酚酞单水合物(2103-64-2)红外图谱(IR2)
InChI:InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
InChIKey: PHLYOKFVXIVOJC-UHFFFAOYSA-N
Smiles:C12(C3=C(C(O)=C(O)C=C3)OC3=C1C=CC(O)=C3O)C1=C(C=CC=C1)C(=O)O2