[4-oxidanyl-2-[(E)-2-phenylsulfanylethenyl]oxolan-3-yl]methyl benzoate

Systemtic Name: [4-oxidanyl-2-[(E)-2-phenylsulfanylethenyl]oxolan-3-yl]methyl benzoate Openeye Name: [4-hydroxy-2-[(E)-2-phenylsulfanylvinyl]tetrahydrofuran-3-yl]methyl benzoate CAS Name: benzoic acid [4-hydroxy-2-[(E)-2-(phenylthio)ethenyl]-3-oxolanyl]methyl ester IUPAC Name: [4-hydroxy-2-[(E)-2-phenylsulfanylethenyl]oxolan-3-yl]methyl benzoate Traditional Name: benzoic acid [4-hydroxy-2-[(E)-2-(phenylthio)vinyl]tetrahydrofuran-3-yl]methyl ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)C=CSC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1C(C(C(O1)/C=C/SC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H20O4S/c21-18-14-23-19(11-12-25-16-9-5-2-6-10-16)17(18)13-24-20(22)15-7-3-1-4-8-15/h1-12,17-19,21H,13-14H2/b12-11+