7-azanyl-6,7-dihydro-5H-1-benzothiophen-4-one; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 7-azanyl-6,7-dihydro-5H-1-benzothiophen-4-one; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 7-amino-6,7-dihydro-5H-benzothiophen-4-one; 2,3-dihydroxybutanedioic acid CAS Name: 7-amino-6,7-dihydro-5H-1-benzothiophen-4-one; 2,3-dihydroxybutanedioic acid IUPAC Name: 7-amino-6,7-dihydro-5H-1-benzothiophen-4-one; 2,3-dihydroxybutanedioic acid Traditional Name: 7-amino-6,7-dihydro-5H-benzothiophen-4-one; tartaric acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C(C1N)SC=C2.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)C2=C(C1N)SC=C2.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C8H9NOS.C4H6O6/c9-6-1-2-7(10)5-3-4-11-8(5)6;5-1(3(7)8)2(6)4(9)10/h3-4,6H,1-2,9H2;1-2,5-6H,(H,7,8)(H,9,10)