4-methoxy-2-(3-oxidanylpropoxy)benzenecarbothioic S-acid

Systemtic Name: 4-methoxy-2-(3-oxidanylpropoxy)benzenecarbothioic S-acid Openeye Name: 2-(3-hydroxypropoxy)-4-methoxy-benzenecarbothioic S-acid CAS Name: 2-(3-hydroxypropoxy)-4-methoxybenzenecarbothioic S-acid IUPAC Name: 2-(3-hydroxypropoxy)-4-methoxybenzenecarbothioic S-acid Traditional Name: 2-(3-hydroxypropoxy)-4-methoxy-thiobenzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)S)OCCCO

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)S)OCCCO

InChI

InChI=1S/C11H14O4S/c1-14-8-3-4-9(11(13)16)10(7-8)15-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3,(H,13,16)