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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(S2)CCCCC(=O)O)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(S2)CCCCC(=O)O)C(=O)C1

InChI

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