(phenylmethyl) 3-sulfonylundecanoate

Systemtic Name: (phenylmethyl) 3-sulfonylundecanoate Openeye Name: benzyl 3-sulfonylundecanoate CAS Name: 3-sulfonylundecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-sulfonylundecanoate Traditional Name: 3-sulfonylundecanoic acid benzyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=S(=O)=O)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(=S(=O)=O)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H26O4S/c1-2-3-4-5-6-10-13-17(23(20)21)14-18(19)22-15-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3