9-chloranyl-8-methyl-3-oxidanyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one

Systemtic Name: 9-chloranyl-8-methyl-3-oxidanyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one Openeye Name: 9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one CAS Name: 9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one IUPAC Name: 9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one Traditional Name: 9-chloro-3-hydroxy-8-methyl-3,4-dihydro-2H-pyrano[3,2-i][1,5]benzodioxepin-10-one Formula: C13H11ClO5 MolecularWeight: 282.67644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2OCC(CO3)O)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2OCC(CO3)O)Cl

InChI

InChI=1S/C13H11ClO5/c1-6-8-2-3-9-12(18-5-7(15)4-17-9)11(8)19-13(16)10(6)14/h2-3,7,15H,4-5H2,1H3