(2S)-2-(4-nitrophenyl)-3,1-benzoxathiin-4-one

Systemtic Name: (2S)-2-(4-nitrophenyl)-3,1-benzoxathiin-4-one Openeye Name: (2S)-2-(4-nitrophenyl)-3,1-benzoxathiin-4-one CAS Name: (2S)-2-(4-nitrophenyl)-3,1-benzoxathiin-4-one IUPAC Name: (2S)-2-(4-nitrophenyl)-3,1-benzoxathiin-4-one Traditional Name: (2S)-2-(4-nitrophenyl)-3,1-benzoxathiin-4-one Formula: C14H9NO4S MolecularWeight: 287.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(S2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)O[C@@H](S2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO4S/c16-13-11-3-1-2-4-12(11)20-14(19-13)9-5-7-10(8-6-9)15(17)18/h1-8,14H/t14-/m0/s1