2-(3-methylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(3-methylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-(3-methylphenoxy)ethyl ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO7S/c1-12-4-3-5-14(10-12)24-8-9-25-17(19)13-6-7-16(26(2,22)23)15(11-13)18(20)21/h3-7,10-11H,8-9H2,1-2H3