6-chloranyl-4-methyl-7-(4-methylsulfonyl-2-nitro-phenoxy)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-(4-methylsulfonyl-2-nitro-phenoxy)chromen-2-one Openeye Name: 6-chloro-4-methyl-7-(4-methylsulfonyl-2-nitro-phenoxy)chromen-2-one CAS Name: 6-chloro-4-methyl-7-(4-methylsulfonyl-2-nitrophenoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-(4-methylsulfonyl-2-nitrophenoxy)chromen-2-one Traditional Name: 6-chloro-7-(4-mesyl-2-nitro-phenoxy)-4-methyl-coumarin Formula: C17H12ClNO7S MolecularWeight: 409.79768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClNO7S/c1-9-5-17(20)26-15-8-16(12(18)7-11(9)15)25-14-4-3-10(27(2,23)24)6-13(14)19(21)22/h3-8H,1-2H3