sodium 4,4-bis(4-quinoxalin-2-yloxyphenyl)pentanoate

Systemtic Name: sodium 4,4-bis(4-quinoxalin-2-yloxyphenyl)pentanoate Openeye Name: sodium 4,4-bis(4-quinoxalin-2-yloxyphenyl)pentanoate CAS Name: sodium 4,4-bis[4-(2-quinoxalinyloxy)phenyl]pentanoate IUPAC Name: sodium 4,4-bis(4-quinoxalin-2-yloxyphenyl)pentanoate Traditional Name: sodium 4,4-bis(4-quinoxalin-2-yloxyphenyl)valerate Formula: C33H25N4NaO4 MolecularWeight: 564.56577

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2)C4=CC=C(C=C4)OC5=NC6=CC=CC=C6N=C5.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2)C4=CC=C(C=C4)OC5=NC6=CC=CC=C6N=C5.[Na+]

InChI

InChI=1S/C33H26N4O4.Na/c1-33(19-18-32(38)39,22-10-14-24(15-11-22)40-30-20-34-26-6-2-4-8-28(26)36-30)23-12-16-25(17-13-23)41-31-21-35-27-7-3-5-9-29(27)37-31;/h2-17,20-21H,18-19H2,1H3,(H,38,39);/q;+1/p-1