2-methanoyl-2-thiophen-3-yl-heptanoic acid

Systemtic Name: 2-methanoyl-2-thiophen-3-yl-heptanoic acid Openeye Name: 2-formyl-2-(3-thienyl)heptanoic acid CAS Name: 2-formyl-2-(3-thiophenyl)heptanoic acid IUPAC Name: 2-formyl-2-thiophen-3-ylheptanoic acid Traditional Name: 2-formyl-2-(3-thienyl)enanthic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=O)(C1=CSC=C1)C(=O)O

Isomeric SMILES

CCCCCC(C=O)(C1=CSC=C1)C(=O)O

InChI

InChI=1S/C12H16O3S/c1-2-3-4-6-12(9-13,11(14)15)10-5-7-16-8-10/h5,7-9H,2-4,6H2,1H3,(H,14,15)