3-(1-cyclopentylsulfanyl-2,2-dimethyl-propyl)-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-(1-cyclopentylsulfanyl-2,2-dimethyl-propyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(1-cyclopentylsulfanyl-2,2-dimethyl-propyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[1-(cyclopentylthio)-2,2-dimethylpropyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-(1-cyclopentylsulfanyl-2,2-dimethylpropyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[1-(cyclopentylthio)-2,2-dimethyl-propyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=C(OC(=CC1=O)C2=CC=CC=C2)O)SC3CCCC3

Isomeric SMILES

CC(C)(C)C(C1=C(OC(=CC1=O)C2=CC=CC=C2)O)SC3CCCC3

InChI

InChI=1S/C21H26O3S/c1-21(2,3)19(25-15-11-7-8-12-15)18-16(22)13-17(24-20(18)23)14-9-5-4-6-10-14/h4-6,9-10,13,15,19,23H,7-8,11-12H2,1-3H3