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

Systemtic Name: 4-oxidanyl-5-pentadecyl-1,3-benzothiazole-6,7-dione Openeye Name: 4-hydroxy-5-pentadecyl-1,3-benzothiazole-6,7-dione CAS Name: 4-hydroxy-5-pentadecyl-1,3-benzothiazole-6,7-dione IUPAC Name: 4-hydroxy-5-pentadecyl-1,3-benzothiazole-6,7-dione Traditional Name: 4-hydroxy-5-pentadecyl-1,3-benzothiazole-6,7-quinone Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O

InChI

InChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-19(24)18-22(27-16-23-18)21(26)20(17)25/h16,24H,2-15H2,1H3