11-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-thiolan-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-thiolan-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-tetrahydrothiophen-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiolanyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidenethiolan-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-5-(3-bromobenzylidene)-4-keto-2-thioxo-tetrahydrothiophen-3-yl]undecanoic acid Formula: C22H27BrO3S2 MolecularWeight: 483.48198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C2C(=O)C(C(=S)S2)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C\2/C(=O)C(C(=S)S2)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H27BrO3S2/c23-17-11-9-10-16(14-17)15-19-21(26)18(22(27)28-19)12-7-5-3-1-2-4-6-8-13-20(24)25/h9-11,14-15,18H,1-8,12-13H2,(H,24,25)/b19-15-