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

Systemtic Name: sodium 4,4-bis[4-(pyridin-2-ylmethoxy)phenyl]pentanoate Openeye Name: sodium 4,4-bis[4-(2-pyridylmethoxy)phenyl]pentanoate CAS Name: sodium 4,4-bis[4-(2-pyridinylmethoxy)phenyl]pentanoate IUPAC Name: sodium 4,4-bis[4-(pyridin-2-ylmethoxy)phenyl]pentanoate Traditional Name: sodium 4,4-bis[4-(2-pyridylmethoxy)phenyl]valerate Formula: C29H27N2NaO4 MolecularWeight: 490.52545

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=CC=CC=N2)C3=CC=C(C=C3)OCC4=CC=CC=N4.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=CC=CC=N2)C3=CC=C(C=C3)OCC4=CC=CC=N4.[Na+]

InChI

InChI=1S/C29H28N2O4.Na/c1-29(17-16-28(32)33,22-8-12-26(13-9-22)34-20-24-6-2-4-18-30-24)23-10-14-27(15-11-23)35-21-25-7-3-5-19-31-25;/h2-15,18-19H,16-17,20-21H2,1H3,(H,32,33);/q;+1/p-1