3-[(dihexylamino)methyl]-5-phenyl-benzene-1,2-diol

Systemtic Name: 3-[(dihexylamino)methyl]-5-phenyl-benzene-1,2-diol Openeye Name: 3-[(dihexylamino)methyl]-5-phenyl-benzene-1,2-diol CAS Name: 3-[(dihexylamino)methyl]-5-phenylbenzene-1,2-diol IUPAC Name: 3-[(dihexylamino)methyl]-5-phenylbenzene-1,2-diol Traditional Name: 3-[(dihexylamino)methyl]-5-phenyl-pyrocatechol Formula: C25H37NO2 MolecularWeight: 383.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CC1=C(C(=CC(=C1)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCN(CCCCCC)CC1=C(C(=CC(=C1)C2=CC=CC=C2)O)O

InChI

InChI=1S/C25H37NO2/c1-3-5-7-12-16-26(17-13-8-6-4-2)20-23-18-22(19-24(27)25(23)28)21-14-10-9-11-15-21/h9-11,14-15,18-19,27-28H,3-8,12-13,16-17,20H2,1-2H3