4-methyl-3-[(E)-prop-1-enyl]-2-sulfanylidene-nonanoic acid

Systemtic Name: 4-methyl-3-[(E)-prop-1-enyl]-2-sulfanylidene-nonanoic acid Openeye Name: 4-methyl-3-[(E)-prop-1-enyl]-2-thioxo-nonanoic acid CAS Name: 4-methyl-3-[(E)-prop-1-enyl]-2-sulfanylidenenonanoic acid IUPAC Name: 4-methyl-3-[(E)-prop-1-enyl]-2-sulfanylidenenonanoic acid Traditional Name: (E)-3-(1-methylhexyl)-2-thioxo-hex-4-enoic acid Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C=CC)C(=S)C(=O)O

Isomeric SMILES

CCCCCC(C)C(/C=C/C)C(=S)C(=O)O

InChI

InChI=1S/C13H22O2S/c1-4-6-7-9-10(3)11(8-5-2)12(16)13(14)15/h5,8,10-11H,4,6-7,9H2,1-3H3,(H,14,15)/b8-5+