4-(5-methylsulfonyloxypentyl)-3-oxidanylidene-4H-chromene-2-carboxylic acid

Systemtic Name: 4-(5-methylsulfonyloxypentyl)-3-oxidanylidene-4H-chromene-2-carboxylic acid Openeye Name: 4-(5-methylsulfonyloxypentyl)-3-oxo-chromane-2-carboxylic acid CAS Name: 4-(5-methylsulfonyloxypentyl)-3-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 4-(5-methylsulfonyloxypentyl)-3-oxo-4H-chromene-2-carboxylic acid Traditional Name: 3-keto-4-(5-methylsulfonyloxypentyl)chroman-2-carboxylic acid Formula: C16H20O7S MolecularWeight: 356.3908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCC1C2=CC=CC=C2OC(C1=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCC1C2=CC=CC=C2OC(C1=O)C(=O)O

InChI

InChI=1S/C16H20O7S/c1-24(20,21)22-10-6-2-3-8-12-11-7-4-5-9-13(11)23-15(14(12)17)16(18)19/h4-5,7,9,12,15H,2-3,6,8,10H2,1H3,(H,18,19)