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

Systemtic Name: (3S,4R)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4R)-1-oxo-3-phenyl-isochromane-4-carboxylic acid CAS Name: (3S,4R)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4R)-1-oxo-3-phenyl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-3-phenyl-isochroman-4-carboxylic acid Formula: C16H12O4 MolecularWeight: 268.26408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)O2)C(=O)O

InChI

InChI=1S/C16H12O4/c17-15(18)13-11-8-4-5-9-12(11)16(19)20-14(13)10-6-2-1-3-7-10/h1-9,13-14H,(H,17,18)/t13-,14-/m1/s1