O-hexadecan-6-yl benzenecarbothioate

Systemtic Name: O-hexadecan-6-yl benzenecarbothioate Openeye Name: O-(1-pentylundecyl) benzenecarbothioate CAS Name: benzenecarbothioic acid O-hexadecan-6-yl ester IUPAC Name: O-hexadecan-6-yl benzenecarbothioate Traditional Name: thiobenzoic acid O-(1-amylundecyl) ester Formula: C23H38OS MolecularWeight: 362.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCC)OC(=S)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCCCC)OC(=S)C1=CC=CC=C1

InChI

InChI=1S/C23H38OS/c1-3-5-7-8-9-10-11-16-20-22(19-13-6-4-2)24-23(25)21-17-14-12-15-18-21/h12,14-15,17-18,22H,3-11,13,16,19-20H2,1-2H3