butyl 2-methylsulfonyloxy-3-(1-oxidanylidene-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)propanoate

Systemtic Name: butyl 2-methylsulfonyloxy-3-(1-oxidanylidene-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)propanoate Openeye Name: butyl 2-methylsulfonyloxy-3-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)propanoate CAS Name: 2-methylsulfonyloxy-3-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b][1]benzopyran-3-yl)propanoic acid butyl ester IUPAC Name: butyl 2-methylsulfonyloxy-3-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)propanoate Traditional Name: 3-(1-keto-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)-2-methylsulfonyloxy-propionic acid butyl ester Formula: C20H26O8S MolecularWeight: 426.48064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC2=C(C=C3CCCCC3O2)C(=O)O1)OS(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C(CC1=CC2=C(C=C3CCCCC3O2)C(=O)O1)OS(=O)(=O)C

InChI

InChI=1S/C20H26O8S/c1-3-4-9-25-20(22)18(28-29(2,23)24)12-14-11-17-15(19(21)26-14)10-13-7-5-6-8-16(13)27-17/h10-11,16,18H,3-9,12H2,1-2H3