S-hexadecyl benzenecarbothioate

Systemtic Name: S-hexadecyl benzenecarbothioate Openeye Name: S-hexadecyl benzenecarbothioate CAS Name: benzenecarbothioic acid S-hexadecyl ester IUPAC Name: S-hexadecyl benzenecarbothioate Traditional Name: thiobenzoic acid S-cetyl ester Formula: C23H38OS MolecularWeight: 362.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C23H38OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3