ethanedioic acid; 4-[2-[4-(4-hydroxyphenyl)butylamino]-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: ethanedioic acid; 4-[2-[4-(4-hydroxyphenyl)butylamino]-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol; oxalic acid CAS Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol; oxalic acid IUPAC Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol; oxalic acid Traditional Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]pyrocatechol; oxalic acid Formula: C20H25NO8 MolecularWeight: 407.4144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCNCC(C2=CC(=C(C=C2)O)O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCNCC(C2=CC(=C(C=C2)O)O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO4.C2H2O4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14;3-1(4)2(5)6/h4-9,11,18-23H,1-3,10,12H2;(H,3,4)(H,5,6)