2-(1,3-benzothiazol-2-yl)-1-[5-hexyl-2,4-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-1-[5-hexyl-2,4-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-yl)-1-(5-hexyl-2,4-dihydroxy-phenyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-yl)-1-(5-hexyl-2,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1-(5-hexyl-2,4-dihydroxyphenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-yl)-1-(5-hexyl-2,4-dihydroxy-phenyl)ethanone Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3S2)O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3S2)O)O

InChI

InChI=1S/C21H23NO3S/c1-2-3-4-5-8-14-11-15(18(24)12-17(14)23)19(25)13-21-22-16-9-6-7-10-20(16)26-21/h6-7,9-12,23-24H,2-5,8,13H2,1H3