2-(1-methoxy-2-methyl-propyl)-2-oxidanyl-1-(4-phenylthiophen-2-yl)hexan-1-one

Systemtic Name: 2-(1-methoxy-2-methyl-propyl)-2-oxidanyl-1-(4-phenylthiophen-2-yl)hexan-1-one Openeye Name: 2-hydroxy-2-(1-methoxy-2-methyl-propyl)-1-(4-phenyl-2-thienyl)hexan-1-one CAS Name: 2-hydroxy-2-(1-methoxy-2-methylpropyl)-1-(4-phenyl-2-thiophenyl)-1-hexanone IUPAC Name: 2-hydroxy-2-(1-methoxy-2-methylpropyl)-1-(4-phenylthiophen-2-yl)hexan-1-one Traditional Name: 2-hydroxy-2-(1-methoxy-2-methyl-propyl)-1-(4-phenyl-2-thienyl)hexan-1-one Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)C)OC)(C(=O)C1=CC(=CS1)C2=CC=CC=C2)O

Isomeric SMILES

CCCCC(C(C(C)C)OC)(C(=O)C1=CC(=CS1)C2=CC=CC=C2)O

InChI

InChI=1S/C21H28O3S/c1-5-6-12-21(23,20(24-4)15(2)3)19(22)18-13-17(14-25-18)16-10-8-7-9-11-16/h7-11,13-15,20,23H,5-6,12H2,1-4H3