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

Systemtic Name: 3-nitro-4-(phenylmethylsulfanyl)chromen-2-one Openeye Name: 4-benzylsulfanyl-3-nitro-chromen-2-one CAS Name: 3-nitro-4-(phenylmethylthio)-1-benzopyran-2-one IUPAC Name: 4-benzylsulfanyl-3-nitrochromen-2-one Traditional Name: 4-(benzylthio)-3-nitro-coumarin Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO4S/c18-16-14(17(19)20)15(12-8-4-5-9-13(12)21-16)22-10-11-6-2-1-3-7-11/h1-9H,10H2