cyclohexyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate

Systemtic Name: cyclohexyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate Openeye Name: cyclohexyl 2-[(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]methyl]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]methyl]benzoic acid cyclohexyl ester Formula: C25H24O5S MolecularWeight: 436.52006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=CC=C2CSC3=C(OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=CC=C2CSC3=C(OC(=CC3=O)C4=CC=CC=C4)O

InChI

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