(Z)-2-(chloromethyl)but-2-enedioic acid; 3,4-diphenylfuran-2,5-dione

Systemtic Name: (Z)-2-(chloromethyl)but-2-enedioic acid; 3,4-diphenylfuran-2,5-dione Openeye Name: (Z)-2-(chloromethyl)but-2-enedioic acid; 3,4-diphenylfuran-2,5-dione CAS Name: (Z)-2-(chloromethyl)-2-butenedioic acid; 3,4-diphenylfuran-2,5-dione IUPAC Name: (Z)-2-(chloromethyl)but-2-enedioic acid; 3,4-diphenylfuran-2,5-dione Traditional Name: (Z)-2-(chloromethyl)but-2-enedioic acid; 3,4-diphenylfuran-2,5-quinone Formula: C21H15ClO7 MolecularWeight: 414.7926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3.C(C(=CC(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3.C(/C(=C\C(=O)O)/C(=O)O)Cl

InChI

InChI=1S/C16H10O3.C5H5ClO4/c17-15-13(11-7-3-1-4-8-11)14(16(18)19-15)12-9-5-2-6-10-12;6-2-3(5(9)10)1-4(7)8/h1-10H;1H,2H2,(H,7,8)(H,9,10)/b;3-1+