5-heptyl-4-oxidanyl-1,3-benzothiazole-6,7-dione

Systemtic Name: 5-heptyl-4-oxidanyl-1,3-benzothiazole-6,7-dione Openeye Name: 5-heptyl-4-hydroxy-1,3-benzothiazole-6,7-dione CAS Name: 5-heptyl-4-hydroxy-1,3-benzothiazole-6,7-dione IUPAC Name: 5-heptyl-4-hydroxy-1,3-benzothiazole-6,7-dione Traditional Name: 5-heptyl-4-hydroxy-1,3-benzothiazole-6,7-quinone Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O

Isomeric SMILES

CCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O

InChI

InChI=1S/C14H17NO3S/c1-2-3-4-5-6-7-9-11(16)10-14(19-8-15-10)13(18)12(9)17/h8,16H,2-7H2,1H3