2,5-bis[(1-adamantylamino)methyl]naphthalene-1,6-diol dihydrochloride

Systemtic Name: 2,5-bis[(1-adamantylamino)methyl]naphthalene-1,6-diol dihydrochloride Openeye Name: 2,5-bis[(1-adamantylamino)methyl]naphthalene-1,6-diol dihydrochloride CAS Name: 2,5-bis[(1-adamantylamino)methyl]naphthalene-1,6-diol dihydrochloride IUPAC Name: 2,5-bis[(1-adamantylamino)methyl]naphthalene-1,6-diol dihydrochloride Traditional Name: 2,5-bis[(1-adamantylamino)methyl]naphthalene-1,6-diol dihydrochloride Formula: C32H44Cl2N2O2 MolecularWeight: 559.60996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=C(C5=C(C=C4)C(=C(C=C5)O)CNC67CC8CC(C6)CC(C8)C7)O.Cl.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=C(C5=C(C=C4)C(=C(C=C5)O)CNC67CC8CC(C6)CC(C8)C7)O.Cl.Cl

InChI

InChI=1S/C32H42N2O2.2ClH/c35-29-4-3-27-26(28(29)18-34-32-14-22-8-23(15-32)10-24(9-22)16-32)2-1-25(30(27)36)17-33-31-11-19-5-20(12-31)7-21(6-19)13-31;;/h1-4,19-24,33-36H,5-18H2;2*1H