4-(3,4-dihydro-2H-thiochromen-8-yloxy)butanoic acid

Systemtic Name: 4-(3,4-dihydro-2H-thiochromen-8-yloxy)butanoic acid Openeye Name: 4-thiochroman-8-yloxybutanoic acid CAS Name: 4-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)butanoic acid IUPAC Name: 4-(3,4-dihydro-2H-thiochromen-8-yloxy)butanoic acid Traditional Name: 4-thiochroman-8-yloxybutyric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCCCC(=O)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCCCC(=O)O)SC1

InChI

InChI=1S/C13H16O3S/c14-12(15)7-2-8-16-11-6-1-4-10-5-3-9-17-13(10)11/h1,4,6H,2-3,5,7-9H2,(H,14,15)