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

Systemtic Name: 4-methylsulfonyl-2-nitro-1-(4-pentylphenoxy)benzene Openeye Name: 4-methylsulfonyl-2-nitro-1-(4-pentylphenoxy)benzene CAS Name: 4-methylsulfonyl-2-nitro-1-(4-pentylphenoxy)benzene IUPAC Name: 4-methylsulfonyl-2-nitro-1-(4-pentylphenoxy)benzene Traditional Name: 1-(4-amylphenoxy)-4-mesyl-2-nitro-benzene Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO5S/c1-3-4-5-6-14-7-9-15(10-8-14)24-18-12-11-16(25(2,22)23)13-17(18)19(20)21/h7-13H,3-6H2,1-2H3