2-(cyclopentylmethyl)-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 2-(cyclopentylmethyl)-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Openeye Name: 2-(cyclopentylmethyl)-6-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one CAS Name: 2-(cyclopentylmethyl)-6-hydroxy-5-(phenethylthio)-2-phenyl-3H-pyran-4-one IUPAC Name: 2-(cyclopentylmethyl)-6-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Traditional Name: 2-(cyclopentylmethyl)-6-hydroxy-5-(phenethylthio)-2-phenyl-3H-pyran-4-one Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28O3S/c26-22-18-25(17-20-11-7-8-12-20,21-13-5-2-6-14-21)28-24(27)23(22)29-16-15-19-9-3-1-4-10-19/h1-6,9-10,13-14,20,27H,7-8,11-12,15-18H2