2-hexadecyl-2-methyl-5-oxidanyl-4-propyl-thiophen-3-one

Systemtic Name: 2-hexadecyl-2-methyl-5-oxidanyl-4-propyl-thiophen-3-one Openeye Name: 2-hexadecyl-5-hydroxy-2-methyl-4-propyl-thiophen-3-one CAS Name: 2-hexadecyl-5-hydroxy-2-methyl-4-propyl-3-thiophenone IUPAC Name: 2-hexadecyl-5-hydroxy-2-methyl-4-propylthiophen-3-one Traditional Name: 2-cetyl-5-hydroxy-2-methyl-4-propyl-thiophen-3-one Formula: C24H44O2S MolecularWeight: 396.66996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C(=O)C(=C(S1)O)CCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(C(=O)C(=C(S1)O)CCC)C

InChI

InChI=1S/C24H44O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(3)22(25)21(19-5-2)23(26)27-24/h26H,4-20H2,1-3H3