4-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]benzoic acid

Systemtic Name: 4-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]benzoic acid Openeye Name: 4-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-pyran-2-yl]benzoic acid CAS Name: 4-[6-hydroxy-4-oxo-5-[(2-propan-2-ylphenyl)thio]-2-pyranyl]benzoic acid IUPAC Name: 4-[6-hydroxy-4-oxo-5-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]benzoic acid Traditional Name: 4-[6-hydroxy-4-keto-5-(o-cumenylthio)pyran-2-yl]benzoic acid Formula: C21H18O5S MolecularWeight: 382.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H18O5S/c1-12(2)15-5-3-4-6-18(15)27-19-16(22)11-17(26-21(19)25)13-7-9-14(10-8-13)20(23)24/h3-12,25H,1-2H3,(H,23,24)