(3S)-8-oxidanyl-3-(4-oxidanylidenepentyl)-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-8-oxidanyl-3-(4-oxidanylidenepentyl)-3,4-dihydroisochromen-1-one Openeye Name: (3S)-8-hydroxy-3-(4-oxopentyl)isochroman-1-one CAS Name: (3S)-8-hydroxy-3-(4-oxopentyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one Traditional Name: (3S)-8-hydroxy-3-(4-ketopentyl)isochroman-1-one Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1CC2=C(C(=CC=C2)O)C(=O)O1

Isomeric SMILES

CC(=O)CCC[C@H]1CC2=C(C(=CC=C2)O)C(=O)O1

InChI

InChI=1S/C14H16O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,11,16H,2,4,6,8H2,1H3/t11-/m0/s1