(phenylmethyl) 3-sulfinylundecanoate

Systemtic Name: (phenylmethyl) 3-sulfinylundecanoate Openeye Name: benzyl 3-sulfinylundecanoate CAS Name: 3-sulfinylundecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-sulfinylundecanoate Traditional Name: 3-sulfinylundecanoic acid benzyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3S/c1-2-3-4-5-6-10-13-17(22-20)14-18(19)21-15-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3