sodium 3-chloranyl-4-ethoxycarbonyl-benzenethiolate

Systemtic Name: sodium 3-chloranyl-4-ethoxycarbonyl-benzenethiolate Openeye Name: sodium 3-chloro-4-ethoxycarbonyl-benzenethiolate CAS Name: sodium 3-chloro-4-ethoxycarbonylbenzenethiolate IUPAC Name: sodium 3-chloro-4-ethoxycarbonylbenzenethiolate Traditional Name: sodium 4-carbethoxy-3-chloro-benzenethiolate Formula: C9H8ClNaO2S MolecularWeight: 238.66639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[S-])Cl.[Na+]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[S-])Cl.[Na+]

InChI

InChI=1S/C9H9ClO2S.Na/c1-2-12-9(11)7-4-3-6(13)5-8(7)10;/h3-5,13H,2H2,1H3;/q;+1/p-1