2-methyl-2-octyl-5-oxidanyl-4-prop-2-enyl-thiophen-3-one

Systemtic Name: 2-methyl-2-octyl-5-oxidanyl-4-prop-2-enyl-thiophen-3-one Openeye Name: 4-allyl-5-hydroxy-2-methyl-2-octyl-thiophen-3-one CAS Name: 5-hydroxy-2-methyl-2-octyl-4-prop-2-enyl-3-thiophenone IUPAC Name: 5-hydroxy-2-methyl-2-octyl-4-prop-2-enylthiophen-3-one Traditional Name: 4-allyl-5-hydroxy-2-methyl-2-octyl-thiophen-3-one Formula: C16H26O2S MolecularWeight: 282.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)C(=C(S1)O)CC=C)C

Isomeric SMILES

CCCCCCCCC1(C(=O)C(=C(S1)O)CC=C)C

InChI

InChI=1S/C16H26O2S/c1-4-6-7-8-9-10-12-16(3)14(17)13(11-5-2)15(18)19-16/h5,18H,2,4,6-12H2,1,3H3