sodium 2-[7-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-5-yl]ethanoate hydrate

Systemtic Name: sodium 2-[7-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-5-yl]ethanoate hydrate Openeye Name: sodium 2-[7-(4-methylsulfanylbenzoyl)benzofuran-5-yl]acetate hydrate CAS Name: sodium 2-[7-[[4-(methylthio)phenyl]-oxomethyl]-5-benzofuranyl]acetate hydrate IUPAC Name: sodium 2-[7-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]acetate hydrate Traditional Name: sodium 2-[7-[4-(methylthio)benzoyl]benzofuran-5-yl]acetate hydrate Formula: C18H15NaO5S MolecularWeight: 366.36347

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC(=O)[O-])C=CO3.O.[Na+]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC(=O)[O-])C=CO3.O.[Na+]

InChI

InChI=1S/C18H14O4S.Na.H2O/c1-23-14-4-2-12(3-5-14)17(21)15-9-11(10-16(19)20)8-13-6-7-22-18(13)15;;/h2-9H,10H2,1H3,(H,19,20);;1H2/q;+1;/p-1