(2-oxidanylidene-1,3-benzoxathiol-5-yl) octadecanoate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) octadecanoate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) octadecanoate CAS Name: octadecanoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) octadecanoate Traditional Name: stearic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)OC(=O)S2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)OC(=O)S2

InChI

InChI=1S/C25H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)28-21-18-19-22-23(20-21)30-25(27)29-22/h18-20H,2-17H2,1H3