3-[2,3,4,5,6-pentakis(chloranyl)phenyl]sulfanylpropane-1,2-diol; prop-1-en-2-olate

Systemtic Name: 3-[2,3,4,5,6-pentakis(chloranyl)phenyl]sulfanylpropane-1,2-diol; prop-1-en-2-olate Openeye Name: 3-(2,3,4,5,6-pentachlorophenyl)sulfanylpropane-1,2-diol; prop-1-en-2-olate CAS Name: 3-[(2,3,4,5,6-pentachlorophenyl)thio]propane-1,2-diol; 1-propen-2-olate IUPAC Name: 3-(2,3,4,5,6-pentachlorophenyl)sulfanylpropane-1,2-diol; prop-1-en-2-olate Traditional Name: 3-[(2,3,4,5,6-pentachlorophenyl)thio]propane-1,2-diol; prop-1-en-2-olate Formula: C12H12Cl5O3S- MolecularWeight: 413.55188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C(C(CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O)O

Isomeric SMILES

CC(=C)[O-].C(C(CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O)O

InChI

InChI=1S/C9H7Cl5O2S.C3H6O/c10-4-5(11)7(13)9(8(14)6(4)12)17-2-3(16)1-15;1-3(2)4/h3,15-16H,1-2H2;4H,1H2,2H3/p-1