10-nitro-3,4-dihydro-2H-[1,4]dithiepino[2,3-c]chromen-6-one

Systemtic Name: 10-nitro-3,4-dihydro-2H-[1,4]dithiepino[2,3-c]chromen-6-one Openeye Name: 10-nitro-3,4-dihydro-2H-[1,4]dithiepino[2,3-c]chromen-6-one CAS Name: 10-nitro-3,4-dihydro-2H-[1,4]dithiepino[2,3-c][1]benzopyran-6-one IUPAC Name: 10-nitro-3,4-dihydro-2H-[1,4]dithiepino[2,3-c]chromen-6-one Traditional Name: 10-nitro-3,4-dihydro-2H-[1,4]dithiepino[2,3-c]chromen-6-one Formula: C12H9NO4S2 MolecularWeight: 295.33416

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])SC1

Isomeric SMILES

C1CSC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])SC1

InChI

InChI=1S/C12H9NO4S2/c14-12-11-10(18-4-1-5-19-11)8-6-7(13(15)16)2-3-9(8)17-12/h2-3,6H,1,4-5H2