5-(7-oxidanyl-7-oxidanylidene-heptyl)thiophene-2-carboxylic acid

Systemtic Name: 5-(7-oxidanyl-7-oxidanylidene-heptyl)thiophene-2-carboxylic acid Openeye Name: 5-(7-hydroxy-7-oxo-heptyl)thiophene-2-carboxylic acid CAS Name: 5-(7-hydroxy-7-oxoheptyl)-2-thiophenecarboxylic acid IUPAC Name: 5-(7-hydroxy-7-oxoheptyl)thiophene-2-carboxylic acid Traditional Name: 5-(7-hydroxy-7-keto-heptyl)-2-thenoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CCCCCCC(=O)O

InChI

InChI=1S/C12H16O4S/c13-11(14)6-4-2-1-3-5-9-7-8-10(17-9)12(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)