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ethanedioic acid; 4-[2-[ethyl(phenethyl)amino]ethyl]benzene-1,2-diol

ethanedioic acid; 4-[2-[ethyl(phenethyl)amino]ethyl]benzene-1,2-diol

Systemtic Name:ethanedioic acid; 4-[2-[ethyl(phenethyl)amino]ethyl]benzene-1,2-diol
Openeye Name:4-[2-[ethyl(phenethyl)amino]ethyl]benzene-1,2-diol; oxalic acid
CAS Name:4-[2-[ethyl(phenethyl)amino]ethyl]benzene-1,2-diol; oxalic acid
IUPAC Name:4-[2-[ethyl(phenethyl)amino]ethyl]benzene-1,2-diol; oxalic acid
Traditional Name:4-[2-[ethyl(phenethyl)amino]ethyl]pyrocatechol; oxalic acid
Formula: C38H48N2O8
MolecularWeight: 660.79632
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=O)(C(=O)O)O


Isomeric SMILES

CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=O)(C(=O)O)O


InChI

InChI=1S/2C18H23NO2.C2H2O4/c2*1-2-19(12-10-15-6-4-3-5-7-15)13-11-16-8-9-17(20)18(21)14-16;3-1(4)2(5)6/h2*3-9,14,20-21H,2,10-13H2,1H3;(H,3,4)(H,5,6)


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