phenyl 2-sulfanylundecanoate

Systemtic Name: phenyl 2-sulfanylundecanoate Openeye Name: phenyl 2-sulfanylundecanoate CAS Name: 2-mercaptoundecanoic acid phenyl ester IUPAC Name: phenyl 2-sulfanylundecanoate Traditional Name: 2-mercaptoundecanoic acid phenyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)OC1=CC=CC=C1)S

Isomeric SMILES

CCCCCCCCCC(C(=O)OC1=CC=CC=C1)S

InChI

InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-11-14-16(20)17(18)19-15-12-9-8-10-13-15/h8-10,12-13,16,20H,2-7,11,14H2,1H3