disodium 4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chloranyl-phenoxy]methyl]benzoate

Systemtic Name: disodium 4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chloranyl-phenoxy]methyl]benzoate Openeye Name: disodium 4-[[2-[2-(4-carboxylatophenyl)-3-thienyl]-4-chloro-phenoxy]methyl]benzoate CAS Name: disodium 4-[[2-[2-(4-carboxylatophenyl)-3-thiophenyl]-4-chlorophenoxy]methyl]benzoate IUPAC Name: disodium 4-[[2-[2-(4-carboxylatophenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoate Traditional Name: disodium 4-[[2-[2-(4-carboxylatophenyl)-3-thienyl]-4-chloro-phenoxy]methyl]benzoate Formula: C25H15ClNa2O5S MolecularWeight: 508.88114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H17ClO5S.2Na/c26-19-9-10-22(31-14-15-1-3-17(4-2-15)24(27)28)21(13-19)20-11-12-32-23(20)16-5-7-18(8-6-16)25(29)30;;/h1-13H,14H2,(H,27,28)(H,29,30);;/q;2*+1/p-2