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ethanedioic acid; 2-[(hexylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

ethanedioic acid; 2-[(hexylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name:ethanedioic acid; 2-[(hexylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
Openeye Name:2-[(hexylamino)methyl]chroman-7-ol; oxalic acid
CAS Name:2-[(hexylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid
IUPAC Name:2-[(hexylamino)methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid
Traditional Name:2-[(hexylamino)methyl]chroman-7-ol; oxalic acid
Formula: C18H27NO6
MolecularWeight: 353.41008
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O


Isomeric SMILES

CCCCCCNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O


InChI

InChI=1S/C16H25NO2.C2H2O4/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15;3-1(4)2(5)6/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3;(H,3,4)(H,5,6)


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