1,3-benzodioxol-5-yl (3S)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (3S)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (3S)-3-methyl-1-oxo-isochromane-3-carboxylate CAS Name: (3S)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: (3S)-1-keto-3-methyl-isochroman-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C18H14O6 MolecularWeight: 326.30016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14O6/c1-18(9-11-4-2-3-5-13(11)16(19)24-18)17(20)23-12-6-7-14-15(8-12)22-10-21-14/h2-8H,9-10H2,1H3/t18-/m0/s1