sodium tris(2-chloranyl-6-methoxy-4-nonyl-phenoxy) borate

Systemtic Name: sodium tris(2-chloranyl-6-methoxy-4-nonyl-phenoxy) borate Openeye Name: sodium tris(2-chloro-6-methoxy-4-nonyl-phenoxy) borate CAS Name: sodium tris(2-chloro-6-methoxy-4-nonylphenoxy) borate IUPAC Name: sodium tris(2-chloro-6-methoxy-4-nonylphenoxy) borate Traditional Name: sodium tris(2-chloro-6-methoxy-4-nonyl-phenoxy) borate Formula: C48H72BCl3NaO9+ MolecularWeight: 933.23965

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Descriptors Computed from Structure

Canonical SMILES:

B(OOC1=C(C=C(C=C1Cl)CCCCCCCCC)OC)(OOC2=C(C=C(C=C2Cl)CCCCCCCCC)OC)OOC3=C(C=C(C=C3Cl)CCCCCCCCC)OC.[Na+]

Isomeric SMILES

B(OOC1=C(C=C(C=C1Cl)CCCCCCCCC)OC)(OOC2=C(C=C(C=C2Cl)CCCCCCCCC)OC)OOC3=C(C=C(C=C3Cl)CCCCCCCCC)OC.[Na+]

InChI

InChI=1S/C48H72BCl3O9.Na/c1-7-10-13-16-19-22-25-28-37-31-40(50)46(43(34-37)53-4)56-59-49(60-57-47-41(51)32-38(35-44(47)54-5)29-26-23-20-17-14-11-8-2)61-58-48-42(52)33-39(36-45(48)55-6)30-27-24-21-18-15-12-9-3;/h31-36H,7-30H2,1-6H3;/q;+1