S-dodecyl 2-(phenylcarbonyl)benzenecarbothioate

Systemtic Name: S-dodecyl 2-(phenylcarbonyl)benzenecarbothioate Openeye Name: S-dodecyl 2-benzoylbenzenecarbothioate CAS Name: 2-benzoylbenzenecarbothioic acid S-dodecyl ester IUPAC Name: S-dodecyl 2-benzoylbenzenecarbothioate Traditional Name: 2-benzoylthiobenzoic acid S-lauryl ester Formula: C26H34O2S MolecularWeight: 410.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H34O2S/c1-2-3-4-5-6-7-8-9-10-16-21-29-26(28)24-20-15-14-19-23(24)25(27)22-17-12-11-13-18-22/h11-15,17-20H,2-10,16,21H2,1H3