2-azanyl-4-[2-[3-azanyl-2,4-bis(oxidanyl)phenyl]-2-adamantyl]benzene-1,3-diol

Systemtic Name: 2-azanyl-4-[2-[3-azanyl-2,4-bis(oxidanyl)phenyl]-2-adamantyl]benzene-1,3-diol Openeye Name: 2-amino-4-[2-(3-amino-2,4-dihydroxy-phenyl)-2-adamantyl]benzene-1,3-diol CAS Name: 2-amino-4-[2-(3-amino-2,4-dihydroxyphenyl)-2-adamantyl]benzene-1,3-diol IUPAC Name: 2-amino-4-[2-(3-amino-2,4-dihydroxyphenyl)-2-adamantyl]benzene-1,3-diol Traditional Name: 2-amino-4-[2-(3-amino-2,4-dihydroxy-phenyl)-2-adamantyl]resorcinol Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C4=C(C(=C(C=C4)O)N)O)C5=C(C(=C(C=C5)O)N)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C4=C(C(=C(C=C4)O)N)O)C5=C(C(=C(C=C5)O)N)O

InChI

InChI=1S/C22H26N2O4/c23-18-16(25)3-1-14(20(18)27)22(15-2-4-17(26)19(24)21(15)28)12-6-10-5-11(8-12)9-13(22)7-10/h1-4,10-13,25-28H,5-9,23-24H2