4-[5-(1-cyclopentylsulfanyl-3-methyl-butyl)-6-oxidanyl-4-oxidanylidene-pyran-2-yl]benzoic acid

Systemtic Name: 4-[5-(1-cyclopentylsulfanyl-3-methyl-butyl)-6-oxidanyl-4-oxidanylidene-pyran-2-yl]benzoic acid Openeye Name: 4-[5-(1-cyclopentylsulfanyl-3-methyl-butyl)-6-hydroxy-4-oxo-pyran-2-yl]benzoic acid CAS Name: 4-[5-[1-(cyclopentylthio)-3-methylbutyl]-6-hydroxy-4-oxo-2-pyranyl]benzoic acid IUPAC Name: 4-[5-(1-cyclopentylsulfanyl-3-methylbutyl)-6-hydroxy-4-oxopyran-2-yl]benzoic acid Traditional Name: 4-[5-[1-(cyclopentylthio)-3-methyl-butyl]-6-hydroxy-4-keto-pyran-2-yl]benzoic acid Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(OC(=CC1=O)C2=CC=C(C=C2)C(=O)O)O)SC3CCCC3

Isomeric SMILES

CC(C)CC(C1=C(OC(=CC1=O)C2=CC=C(C=C2)C(=O)O)O)SC3CCCC3

InChI

InChI=1S/C22H26O5S/c1-13(2)11-19(28-16-5-3-4-6-16)20-17(23)12-18(27-22(20)26)14-7-9-15(10-8-14)21(24)25/h7-10,12-13,16,19,26H,3-6,11H2,1-2H3,(H,24,25)