(1-oxidanylidene-2,6-diphenyl-thian-4-yl) dodecanoate

Systemtic Name: (1-oxidanylidene-2,6-diphenyl-thian-4-yl) dodecanoate Openeye Name: (1-oxo-2,6-diphenyl-thian-4-yl) dodecanoate CAS Name: dodecanoic acid (1-oxo-2,6-diphenyl-4-thianyl) ester IUPAC Name: (1-oxo-2,6-diphenylthian-4-yl) dodecanoate Traditional Name: lauric acid (1-keto-2,6-diphenyl-thian-4-yl) ester Formula: C29H40O3S MolecularWeight: 468.6911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CC(S(=O)C(C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CC(S(=O)C(C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H40O3S/c1-2-3-4-5-6-7-8-9-16-21-29(30)32-26-22-27(24-17-12-10-13-18-24)33(31)28(23-26)25-19-14-11-15-20-25/h10-15,17-20,26-28H,2-9,16,21-23H2,1H3