4-chloranyl-2-[(oxolan-2-ylmethylamino)methyl]phenol; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[(oxolan-2-ylmethylamino)methyl]phenol; ethanedioic acid Openeye Name: 4-chloro-2-[(tetrahydrofuran-2-ylmethylamino)methyl]phenol; oxalic acid CAS Name: 4-chloro-2-[(2-oxolanylmethylamino)methyl]phenol; oxalic acid IUPAC Name: 4-chloro-2-[(oxolan-2-ylmethylamino)methyl]phenol; oxalic acid Traditional Name: 4-chloro-2-[(tetrahydrofurfurylamino)methyl]phenol; oxalic acid Formula: C14H18ClNO6 MolecularWeight: 331.74882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCC2=C(C=CC(=C2)Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CNCC2=C(C=CC(=C2)Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16ClNO2.C2H2O4/c13-10-3-4-12(15)9(6-10)7-14-8-11-2-1-5-16-11;3-1(4)2(5)6/h3-4,6,11,14-15H,1-2,5,7-8H2;(H,3,4)(H,5,6)