(1S)-1-heptyl-6,8-bis(oxidanyl)-1,4-dihydroisochromen-3-one

Systemtic Name: (1S)-1-heptyl-6,8-bis(oxidanyl)-1,4-dihydroisochromen-3-one Openeye Name: (1S)-1-heptyl-6,8-dihydroxy-isochroman-3-one CAS Name: (1S)-1-heptyl-6,8-dihydroxy-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: (1S)-1-heptyl-6,8-dihydroxy-1,4-dihydroisochromen-3-one Traditional Name: (1S)-1-heptyl-6,8-dihydroxy-isochroman-3-one Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=C(C=C(C=C2CC(=O)O1)O)O

Isomeric SMILES

CCCCCCC[C@H]1C2=C(C=C(C=C2CC(=O)O1)O)O

InChI

InChI=1S/C16H22O4/c1-2-3-4-5-6-7-14-16-11(9-15(19)20-14)8-12(17)10-13(16)18/h8,10,14,17-18H,2-7,9H2,1H3/t14-/m0/s1