(1S,3S)-3-heptyl-1,6,8-tris(oxidanyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

Systemtic Name: (1S,3S)-3-heptyl-1,6,8-tris(oxidanyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid Openeye Name: (1S,3S)-3-heptyl-1,6,8-trihydroxy-isochromane-7-carboxylic acid CAS Name: (1S,3S)-3-heptyl-1,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: (1S,3S)-3-heptyl-1,6,8-trihydroxy-3,4-dihydro-1H-isochromene-7-carboxylic acid Traditional Name: (1S,3S)-3-heptyl-1,6,8-trihydroxy-isochroman-7-carboxylic acid Formula: C17H24O6 MolecularWeight: 324.36886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC2=CC(=C(C(=C2C(O1)O)O)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H24O6/c1-2-3-4-5-6-7-11-8-10-9-12(18)14(16(20)21)15(19)13(10)17(22)23-11/h9,11,17-19,22H,2-8H2,1H3,(H,20,21)/t11-,17-/m0/s1