(3S,4R)-3-hexyl-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4R)-3-hexyl-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4R)-3-hexyl-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4R)-3-hexyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4R)-3-hexyl-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4R)-3-hexyl-1-keto-isochroman-4-carboxylic acid Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C2=CC=CC=C2C(=O)O1)C(=O)O

Isomeric SMILES

CCCCCC[C@H]1[C@@H](C2=CC=CC=C2C(=O)O1)C(=O)O

InChI

InChI=1S/C16H20O4/c1-2-3-4-5-10-13-14(15(17)18)11-8-6-7-9-12(11)16(19)20-13/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)/t13-,14+/m0/s1