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(2,6-diphenylthian-4-yl) dodecanoate

Systemtic Name:	(2,6-diphenylthian-4-yl) dodecanoate
Openeye Name:	(2,6-diphenyltetrahydrothiopyran-4-yl) dodecanoate
CAS Name:	dodecanoic acid (2,6-diphenyl-4-thianyl) ester
IUPAC Name:	(2,6-diphenylthian-4-yl) dodecanoate
Traditional Name:	lauric acid (2,6-diphenyltetrahydrothiopyran-4-yl) ester
Formula:	C₂₉H₄₀O₂S
MolecularWeight:	452.6917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CC(SC(C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CC(SC(C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H40O2S/c1-2-3-4-5-6-7-8-9-16-21-29(30)31-26-22-27(24-17-12-10-13-18-24)32-28(23-26)25-19-14-11-15-20-25/h10-15,17-20,26-28H,2-9,16,21-23H2,1H3

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