sodium 4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]pentanoate

Systemtic Name: sodium 4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]pentanoate Openeye Name: sodium 4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]pentanoate CAS Name: sodium 4,4-bis[4-(2-quinoxalinylmethoxy)phenyl]pentanoate IUPAC Name: sodium 4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]pentanoate Traditional Name: sodium 4,4-bis[4-(quinoxalin-2-ylmethoxy)phenyl]valerate Formula: C35H29N4NaO4 MolecularWeight: 592.61893

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6N=C5.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6N=C5.[Na+]

InChI

InChI=1S/C35H30N4O4.Na/c1-35(19-18-34(40)41,24-10-14-28(15-11-24)42-22-26-20-36-30-6-2-4-8-32(30)38-26)25-12-16-29(17-13-25)43-23-27-21-37-31-7-3-5-9-33(31)39-27;/h2-17,20-21H,18-19,22-23H2,1H3,(H,40,41);/q;+1/p-1