5-nitro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran

Systemtic Name: 5-nitro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran Openeye Name: 5-nitro-2-(phenylsulfanylmethyl)-2,3-dihydrobenzofuran CAS Name: 5-nitro-2-[(phenylthio)methyl]-2,3-dihydrobenzofuran IUPAC Name: 5-nitro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran Traditional Name: 5-nitro-2-[(phenylthio)methyl]coumaran Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=C3

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=C3

InChI

InChI=1S/C15H13NO3S/c17-16(18)12-6-7-15-11(8-12)9-13(19-15)10-20-14-4-2-1-3-5-14/h1-8,13H,9-10H2