2,3-bis(oxidanyl)butanedioic acid; ethyl 4-chloranyl-6-(dimethylaminomethyl)-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 4-chloranyl-6-(dimethylaminomethyl)-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-benzofuran-3-carboxylate CAS Name: 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester; 2,3-dihydroxybutanedioic acid IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C19H24ClNO10 MolecularWeight: 461.84756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)C.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)C.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C15H18ClNO4.C4H6O6/c1-5-20-15(19)11-8(2)21-10-6-9(7-17(3)4)14(18)13(16)12(10)11;5-1(3(7)8)2(6)4(9)10/h6,18H,5,7H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)