[5-(3-methylsulfanylpyridin-1-ium-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(3-methylsulfanylpyridin-1-ium-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(3-methylsulfanylpyridin-1-ium-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-[3-(methylthio)-1-pyridin-1-iumyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(3-methylsulfanylpyridin-1-ium-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-[3-(methylthio)pyridin-1-ium-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C32H28NO7S+ MolecularWeight: 570.63222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C[N+](=CC=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=C[N+](=CC=C1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H28NO7S/c1-41-25-18-11-19-33(20-25)29-28(40-32(36)24-16-9-4-10-17-24)27(39-31(35)23-14-7-3-8-15-23)26(38-29)21-37-30(34)22-12-5-2-6-13-22/h2-20,26-29H,21H2,1H3/q+1