6-ethanoyl-7-(5-methylsulfonyloxypentoxy)-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-ethanoyl-7-(5-methylsulfonyloxypentoxy)-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-acetyl-7-(5-methylsulfonyloxypentoxy)chromane-2-carboxylic acid CAS Name: 6-acetyl-7-(5-methylsulfonyloxypentoxy)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-acetyl-7-(5-methylsulfonyloxypentoxy)-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-acetyl-7-(5-methylsulfonyloxypentoxy)chroman-2-carboxylic acid Formula: C18H24O8S MolecularWeight: 400.44336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1OCCCCCOS(=O)(=O)C)OC(CC2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1OCCCCCOS(=O)(=O)C)OC(CC2)C(=O)O

InChI

InChI=1S/C18H24O8S/c1-12(19)14-10-13-6-7-15(18(20)21)26-16(13)11-17(14)24-8-4-3-5-9-25-27(2,22)23/h10-11,15H,3-9H2,1-2H3,(H,20,21)