3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrochloride

Systemtic Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrochloride Openeye Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrochloride CAS Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrochloride IUPAC Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrochloride Traditional Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol dihydrochloride Formula: C30H42Cl2N2O3 MolecularWeight: 549.57208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)CCC3=CC(=CC=C3)O.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C(C(=C(C=C2)O)O)CCC3=CC(=CC=C3)O.Cl.Cl

InChI

InChI=1S/C30H40N2O3.2ClH/c33-27-12-8-11-25(23-27)13-15-28-26(14-16-29(34)30(28)35)18-22-32-20-7-2-1-6-19-31-21-17-24-9-4-3-5-10-24;;/h3-5,8-12,14,16,23,31-35H,1-2,6-7,13,15,17-22H2;2*1H