3,6-dinitro-4-phenylsulfanyl-chromen-2-one

Systemtic Name: 3,6-dinitro-4-phenylsulfanyl-chromen-2-one Openeye Name: 3,6-dinitro-4-phenylsulfanyl-chromen-2-one CAS Name: 3,6-dinitro-4-(phenylthio)-1-benzopyran-2-one IUPAC Name: 3,6-dinitro-4-phenylsulfanylchromen-2-one Traditional Name: 3,6-dinitro-4-(phenylthio)coumarin Formula: C15H8N2O6S MolecularWeight: 344.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H8N2O6S/c18-15-13(17(21)22)14(24-10-4-2-1-3-5-10)11-8-9(16(19)20)6-7-12(11)23-15/h1-8H