sodium tetrakis(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)boranuide

Systemtic Name: sodium tetrakis(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)boranuide Openeye Name: sodium tetrakis(4-chloro-2-isopropyl-5-methyl-phenoxy)boranuide CAS Name: sodium tetrakis(4-chloro-5-methyl-2-propan-2-ylphenoxy)boranuide IUPAC Name: sodium tetrakis(4-chloro-5-methyl-2-propan-2-ylphenoxy)boranuide Traditional Name: sodium tetrakis(4-chloro-2-isopropyl-5-methyl-phenoxy)boranuide Formula: C40H48BCl4NaO4 MolecularWeight: 768.41949

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Descriptors Computed from Structure

Canonical SMILES:

[B-](OC1=C(C=C(C(=C1)C)Cl)C(C)C)(OC2=C(C=C(C(=C2)C)Cl)C(C)C)(OC3=C(C=C(C(=C3)C)Cl)C(C)C)OC4=C(C=C(C(=C4)C)Cl)C(C)C.[Na+]

Isomeric SMILES

[B-](OC1=C(C=C(C(=C1)C)Cl)C(C)C)(OC2=C(C=C(C(=C2)C)Cl)C(C)C)(OC3=C(C=C(C(=C3)C)Cl)C(C)C)OC4=C(C=C(C(=C4)C)Cl)C(C)C.[Na+]

InChI

InChI=1S/C40H48BCl4O4.Na/c1-21(2)29-17-33(42)25(9)13-37(29)46-41(47-38-14-26(10)34(43)18-30(38)22(3)4,48-39-15-27(11)35(44)19-31(39)23(5)6)49-40-16-28(12)36(45)20-32(40)24(7)8;/h13-24H,1-12H3;/q-1;+1