2-(cyclohexylmethyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-(cyclohexylmethyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-2-(cyclohexylmethyl)-6-hydroxy-2-phenyl-3H-pyran-4-one CAS Name: 2-(cyclohexylmethyl)-6-hydroxy-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-2-(cyclohexylmethyl)-6-hydroxy-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-2-(cyclohexylmethyl)-6-hydroxy-2-phenyl-3H-pyran-4-one Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28O3S/c26-22-17-25(21-14-8-3-9-15-21,16-19-10-4-1-5-11-19)28-24(27)23(22)29-18-20-12-6-2-7-13-20/h2-3,6-9,12-15,19,27H,1,4-5,10-11,16-18H2