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

Systemtic Name: sodium 4,4-bis(4-pyridin-2-yloxyphenyl)pentanoate Openeye Name: sodium 4,4-bis[4-(2-pyridyloxy)phenyl]pentanoate CAS Name: sodium 4,4-bis[4-(2-pyridinyloxy)phenyl]pentanoate IUPAC Name: sodium 4,4-bis(4-pyridin-2-yloxyphenyl)pentanoate Traditional Name: sodium 4,4-bis[4-(2-pyridyloxy)phenyl]valerate Formula: C27H23N2NaO4 MolecularWeight: 462.47229

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=CC=CC=N2)C3=CC=C(C=C3)OC4=CC=CC=N4.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=CC=CC=N2)C3=CC=C(C=C3)OC4=CC=CC=N4.[Na+]

InChI

InChI=1S/C27H24N2O4.Na/c1-27(17-16-26(30)31,20-8-12-22(13-9-20)32-24-6-2-4-18-28-24)21-10-14-23(15-11-21)33-25-7-3-5-19-29-25;/h2-15,18-19H,16-17H2,1H3,(H,30,31);/q;+1/p-1