4-(3-methoxy-3-oxidanylidene-propyl)benzenecarbothioic S-acid

Systemtic Name: 4-(3-methoxy-3-oxidanylidene-propyl)benzenecarbothioic S-acid Openeye Name: 4-(3-methoxy-3-oxo-propyl)benzenecarbothioic S-acid CAS Name: 4-(3-methoxy-3-oxopropyl)benzenecarbothioic S-acid IUPAC Name: 4-(3-methoxy-3-oxopropyl)benzenecarbothioic S-acid Traditional Name: 4-(3-keto-3-methoxy-propyl)thiobenzoic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(=O)S

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(=O)S

InChI

InChI=1S/C11H12O3S/c1-14-10(12)7-4-8-2-5-9(6-3-8)11(13)15/h2-3,5-6H,4,7H2,1H3,(H,13,15)