7-(4-methylsulfonyl-2-nitro-phenoxy)chromen-2-one

Systemtic Name: 7-(4-methylsulfonyl-2-nitro-phenoxy)chromen-2-one Openeye Name: 7-(4-methylsulfonyl-2-nitro-phenoxy)chromen-2-one CAS Name: 7-(4-methylsulfonyl-2-nitrophenoxy)-1-benzopyran-2-one IUPAC Name: 7-(4-methylsulfonyl-2-nitrophenoxy)chromen-2-one Traditional Name: 7-(4-mesyl-2-nitro-phenoxy)coumarin Formula: C16H11NO7S MolecularWeight: 361.32604

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO7S/c1-25(21,22)12-5-6-14(13(9-12)17(19)20)23-11-4-2-10-3-7-16(18)24-15(10)8-11/h2-9H,1H3