4-methylsulfonyl-2-nitro-1-(4-propoxyphenoxy)benzene

Systemtic Name: 4-methylsulfonyl-2-nitro-1-(4-propoxyphenoxy)benzene Openeye Name: 4-methylsulfonyl-2-nitro-1-(4-propoxyphenoxy)benzene CAS Name: 4-methylsulfonyl-2-nitro-1-(4-propoxyphenoxy)benzene IUPAC Name: 4-methylsulfonyl-2-nitro-1-(4-propoxyphenoxy)benzene Traditional Name: 4-mesyl-2-nitro-1-(4-propoxyphenoxy)benzene Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO6S/c1-3-10-22-12-4-6-13(7-5-12)23-16-9-8-14(24(2,20)21)11-15(16)17(18)19/h4-9,11H,3,10H2,1-2H3