cyclohexyl 2-(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: cyclohexyl 2-(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: cyclohexyl 2-(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanyl-2-phenyl-acetate CAS Name: 2-[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]-2-phenylacetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]-2-phenyl-acetic acid cyclohexyl ester Formula: C25H24O5S MolecularWeight: 436.52006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)SC3=C(OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)SC3=C(OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H24O5S/c26-20-16-21(17-10-4-1-5-11-17)30-25(28)23(20)31-22(18-12-6-2-7-13-18)24(27)29-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,22,28H,3,8-9,14-15H2