[4-(1,3-dithiolan-2-yl)phenyl] octanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] octanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H24O2S2 MolecularWeight: 324.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H24O2S2/c1-2-3-4-5-6-7-16(18)19-15-10-8-14(9-11-15)17-20-12-13-21-17/h8-11,17H,2-7,12-13H2,1H3