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

Systemtic Name: cyclopentyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C24H22O5S MolecularWeight: 422.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C2=CC=CC=C2CSC3=C(OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(C1)OC(=O)C2=CC=CC=C2CSC3=C(OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C24H22O5S/c25-20-14-21(16-8-2-1-3-9-16)29-24(27)22(20)30-15-17-10-4-7-13-19(17)23(26)28-18-11-5-6-12-18/h1-4,7-10,13-14,18,27H,5-6,11-12,15H2