sodium 2-[6-(3-pentanoyl-1-benzofuran-2-yl)-1-phenyl-naphthalen-2-yl]oxyethanoate

Systemtic Name: sodium 2-[6-(3-pentanoyl-1-benzofuran-2-yl)-1-phenyl-naphthalen-2-yl]oxyethanoate Openeye Name: sodium 2-[[6-(3-pentanoylbenzofuran-2-yl)-1-phenyl-2-naphthyl]oxy]acetate CAS Name: sodium 2-[[6-[3-(1-oxopentyl)-2-benzofuranyl]-1-phenyl-2-naphthalenyl]oxy]acetate IUPAC Name: sodium 2-[6-(3-pentanoyl-1-benzofuran-2-yl)-1-phenylnaphthalen-2-yl]oxyacetate Traditional Name: sodium 2-[1-phenyl-6-(3-valerylbenzofuran-2-yl)-2-naphthoxy]acetate Formula: C31H25NaO5 MolecularWeight: 500.51697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)[O-])C5=CC=CC=C5.[Na+]

Isomeric SMILES

CCCCC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)[O-])C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C31H26O5.Na/c1-2-3-12-25(32)30-24-11-7-8-13-26(24)36-31(30)22-14-16-23-21(18-22)15-17-27(35-19-28(33)34)29(23)20-9-5-4-6-10-20;/h4-11,13-18H,2-3,12,19H2,1H3,(H,33,34);/q;+1/p-1