2-hexadecyl-2-methyl-5-oxidanyl-4-(phenylmethyl)thiophen-3-one

Systemtic Name: 2-hexadecyl-2-methyl-5-oxidanyl-4-(phenylmethyl)thiophen-3-one Openeye Name: 4-benzyl-2-hexadecyl-5-hydroxy-2-methyl-thiophen-3-one CAS Name: 2-hexadecyl-5-hydroxy-2-methyl-4-(phenylmethyl)-3-thiophenone IUPAC Name: 4-benzyl-2-hexadecyl-5-hydroxy-2-methylthiophen-3-one Traditional Name: 4-benzyl-2-cetyl-5-hydroxy-2-methyl-thiophen-3-one Formula: C28H44O2S MolecularWeight: 444.71276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C(=O)C(=C(S1)O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(C(=O)C(=C(S1)O)CC2=CC=CC=C2)C

InChI

InChI=1S/C28H44O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28(2)26(29)25(27(30)31-28)23-24-20-17-16-18-21-24/h16-18,20-21,30H,3-15,19,22-23H2,1-2H3