(phenylmethyl) 3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylate Openeye Name: benzyl 8-hydroxy-3-methyl-1-oxo-isochromane-7-carboxylate CAS Name: 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate Traditional Name: 8-hydroxy-1-keto-3-methyl-isochroman-7-carboxylic acid benzyl ester Formula: C18H16O5 MolecularWeight: 312.31664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=C(C=C2)C(=O)OCC3=CC=CC=C3)O)C(=O)O1

Isomeric SMILES

CC1CC2=C(C(=C(C=C2)C(=O)OCC3=CC=CC=C3)O)C(=O)O1

InChI

InChI=1S/C18H16O5/c1-11-9-13-7-8-14(16(19)15(13)18(21)23-11)17(20)22-10-12-5-3-2-4-6-12/h2-8,11,19H,9-10H2,1H3