[1,1-bis(oxidanylidene)-2,6-diphenyl-thian-4-yl] hexadecanoate

Systemtic Name: [1,1-bis(oxidanylidene)-2,6-diphenyl-thian-4-yl] hexadecanoate Openeye Name: (1,1-dioxo-2,6-diphenyl-thian-4-yl) hexadecanoate CAS Name: hexadecanoic acid (1,1-dioxo-2,6-diphenyl-4-thianyl) ester IUPAC Name: (1,1-dioxo-2,6-diphenylthian-4-yl) hexadecanoate Traditional Name: palmitic acid (1,1-diketo-2,6-diphenyl-thian-4-yl) ester Formula: C33H48O4S MolecularWeight: 540.79682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-33(34)37-30-26-31(28-21-16-14-17-22-28)38(35,36)32(27-30)29-23-18-15-19-24-29/h14-19,21-24,30-32H,2-13,20,25-27H2,1H3