4-(4-nitrophenyl)-3-[(phenylmethylsulfanyl)methyl]oxolan-2-one

Systemtic Name: 4-(4-nitrophenyl)-3-[(phenylmethylsulfanyl)methyl]oxolan-2-one Openeye Name: 3-(benzylsulfanylmethyl)-4-(4-nitrophenyl)tetrahydrofuran-2-one CAS Name: 4-(4-nitrophenyl)-3-[(phenylmethylthio)methyl]-2-oxolanone IUPAC Name: 3-(benzylsulfanylmethyl)-4-(4-nitrophenyl)oxolan-2-one Traditional Name: 3-[(benzylthio)methyl]-4-(4-nitrophenyl)tetrahydrofuran-2-one Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)O1)CSCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(C(=O)O1)CSCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4S/c20-18-17(12-24-11-13-4-2-1-3-5-13)16(10-23-18)14-6-8-15(9-7-14)19(21)22/h1-9,16-17H,10-12H2