7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanoic acid

Systemtic Name: 7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanoic acid Openeye Name: 7-(5-methyl-2-thienyl)-4,7-dioxo-heptanoic acid CAS Name: 7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanoic acid IUPAC Name: 7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoic acid Traditional Name: 4,7-diketo-7-(5-methyl-2-thienyl)enanthic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)O

InChI

InChI=1S/C12H14O4S/c1-8-2-6-11(17-8)10(14)5-3-9(13)4-7-12(15)16/h2,6H,3-5,7H2,1H3,(H,15,16)