5-(4-oxidanylidene-6,7-dihydro-5H-2-benzothiophen-1-yl)pentanoic acid

Systemtic Name: 5-(4-oxidanylidene-6,7-dihydro-5H-2-benzothiophen-1-yl)pentanoic acid Openeye Name: 5-(4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl)pentanoic acid CAS Name: 5-(4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl)pentanoic acid IUPAC Name: 5-(4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl)pentanoic acid Traditional Name: 5-(4-keto-6,7-dihydro-5H-isobenzothiophen-1-yl)valeric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(SC=C2C(=O)C1)CCCCC(=O)O

Isomeric SMILES

C1CC2=C(SC=C2C(=O)C1)CCCCC(=O)O

InChI

InChI=1S/C13H16O3S/c14-11-5-3-4-9-10(11)8-17-12(9)6-1-2-7-13(15)16/h8H,1-7H2,(H,15,16)