phenylmethoxysulfonyl 2-methylheptanoate

Systemtic Name: phenylmethoxysulfonyl 2-methylheptanoate Openeye Name: benzyloxysulfonyl 2-methylheptanoate CAS Name: 2-methylheptanoic acid phenylmethoxysulfonyl ester IUPAC Name: phenylmethoxysulfonyl 2-methylheptanoate Traditional Name: 2-methylenanthic acid benzoxysulfonyl ester Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)OS(=O)(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)C(=O)OS(=O)(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H22O5S/c1-3-4-6-9-13(2)15(16)20-21(17,18)19-12-14-10-7-5-8-11-14/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3