phenoxysulfonyl 7-methyloctanoate

Systemtic Name: phenoxysulfonyl 7-methyloctanoate Openeye Name: phenoxysulfonyl 7-methyloctanoate CAS Name: 7-methyloctanoic acid phenoxysulfonyl ester IUPAC Name: phenoxysulfonyl 7-methyloctanoate Traditional Name: 7-methylcaprylic acid phenoxysulfonyl ester Formula: C15H22O5S MolecularWeight: 314.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)OS(=O)(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCCC(=O)OS(=O)(=O)OC1=CC=CC=C1

InChI

InChI=1S/C15H22O5S/c1-13(2)9-5-3-8-12-15(16)20-21(17,18)19-14-10-6-4-7-11-14/h4,6-7,10-11,13H,3,5,8-9,12H2,1-2H3