3-nitro-4-(4-sulfanylbutylsulfanyl)chromen-2-one

Systemtic Name: 3-nitro-4-(4-sulfanylbutylsulfanyl)chromen-2-one Openeye Name: 3-nitro-4-(4-sulfanylbutylsulfanyl)chromen-2-one CAS Name: 4-(4-mercaptobutylthio)-3-nitro-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(4-sulfanylbutylsulfanyl)chromen-2-one Traditional Name: 4-(4-mercaptobutylthio)-3-nitro-coumarin Formula: C13H13NO4S2 MolecularWeight: 311.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SCCCCS

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SCCCCS

InChI

InChI=1S/C13H13NO4S2/c15-13-11(14(16)17)12(20-8-4-3-7-19)9-5-1-2-6-10(9)18-13/h1-2,5-6,19H,3-4,7-8H2