2-(4-ethoxyphenyl)carbothioylsulfanylethanoic acid

Systemtic Name: 2-(4-ethoxyphenyl)carbothioylsulfanylethanoic acid Openeye Name: 2-(4-ethoxybenzenecarbothioyl)sulfanylacetic acid CAS Name: 2-[[(4-ethoxyphenyl)-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-(4-ethoxybenzenecarbothioyl)sulfanylacetic acid Traditional Name: 2-[(4-ethoxythiobenzoyl)thio]acetic acid Formula: C11H12O3S2 MolecularWeight: 256.34118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=S)SCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=S)SCC(=O)O

InChI

InChI=1S/C11H12O3S2/c1-2-14-9-5-3-8(4-6-9)11(15)16-7-10(12)13/h3-6H,2,7H2,1H3,(H,12,13)