sodium 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate

Systemtic Name: sodium 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate Openeye Name: sodium 5,5-bis[4-(2-quinolylmethoxy)phenyl]hexanoate CAS Name: sodium 5,5-bis[4-(2-quinolinylmethoxy)phenyl]hexanoate IUPAC Name: sodium 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate Traditional Name: sodium 5,5-bis[4-(2-quinolylmethoxy)phenyl]hexanoate Formula: C38H33N2NaO4 MolecularWeight: 604.66939

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5.[Na+]

Isomeric SMILES

CC(CCCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5.[Na+]

InChI

InChI=1S/C38H34N2O4.Na/c1-38(24-6-11-37(41)42,29-14-20-33(21-15-29)43-25-31-18-12-27-7-2-4-9-35(27)39-31)30-16-22-34(23-17-30)44-26-32-19-13-28-8-3-5-10-36(28)40-32;/h2-5,7-10,12-23H,6,11,24-26H2,1H3,(H,41,42);/q;+1/p-1