8-methoxy-2-(4-methylphenyl)sulfonyl-octanoate

Systemtic Name: 8-methoxy-2-(4-methylphenyl)sulfonyl-octanoate Openeye Name: 8-methoxy-2-(p-tolylsulfonyl)octanoate CAS Name: 8-methoxy-2-(4-methylphenyl)sulfonyloctanoate IUPAC Name: 8-methoxy-2-(4-methylphenyl)sulfonyloctanoate Traditional Name: 8-methoxy-2-tosyl-caprylate Formula: C16H23O5S- MolecularWeight: 327.41582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCOC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCOC)C(=O)[O-]

InChI

InChI=1S/C16H24O5S/c1-13-8-10-14(11-9-13)22(19,20)15(16(17)18)7-5-3-4-6-12-21-2/h8-11,15H,3-7,12H2,1-2H3,(H,17,18)/p-1