2-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylcarbonyl)butanedioic acid

Systemtic Name: 2-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylcarbonyl)butanedioic acid Openeye Name: 2-(4,5,6,7-tetrahydrobenzothiophene-6-carbonyl)butanedioic acid CAS Name: 2-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-6-yl)methyl]butanedioic acid IUPAC Name: 2-(4,5,6,7-tetrahydro-1-benzothiophene-6-carbonyl)butanedioic acid Traditional Name: 2-(4,5,6,7-tetrahydrobenzothiophene-6-carbonyl)succinic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)C(CC(=O)O)C(=O)O)SC=C2

Isomeric SMILES

C1CC2=C(CC1C(=O)C(CC(=O)O)C(=O)O)SC=C2

InChI

InChI=1S/C13H14O5S/c14-11(15)6-9(13(17)18)12(16)8-2-1-7-3-4-19-10(7)5-8/h3-4,8-9H,1-2,5-6H2,(H,14,15)(H,17,18)