sodium; boron(1-); 4-[4-(2-methyl-2-nitro-propyl)phenoxy]phenol

Systemtic Name: sodium; boron(1-); 4-[4-(2-methyl-2-nitro-propyl)phenoxy]phenol Openeye Name: sodium; boron(1-); 4-[4-(2-methyl-2-nitro-propyl)phenoxy]phenol CAS Name: sodium; boron(1-); 4-[4-(2-methyl-2-nitropropyl)phenoxy]phenol IUPAC Name: sodium; boron(1-); 4-[4-(2-methyl-2-nitropropyl)phenoxy]phenol Traditional Name: sodium; boron(1-); 4-[4-(2-methyl-2-nitro-propyl)phenoxy]phenol Formula: C16H17BNNaO4 MolecularWeight: 321.11125

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Descriptors Computed from Structure

Canonical SMILES:

[B-].CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)O)[N+](=O)[O-].[Na+]

Isomeric SMILES

[B-].CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C16H17NO4.B.Na/c1-16(2,17(19)20)11-12-3-7-14(8-4-12)21-15-9-5-13(18)6-10-15;;/h3-10,18H,11H2,1-2H3;;/q;-1;+1