methyl (1S,3S)-3-heptyl-1,6,8-trimethoxy-3,4-dihydro-1H-isochromene-7-carboxylate

Systemtic Name: methyl (1S,3S)-3-heptyl-1,6,8-trimethoxy-3,4-dihydro-1H-isochromene-7-carboxylate Openeye Name: methyl (1S,3S)-3-heptyl-1,6,8-trimethoxy-isochromane-7-carboxylate CAS Name: (1S,3S)-3-heptyl-1,6,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-3-heptyl-1,6,8-trimethoxy-3,4-dihydro-1H-isochromene-7-carboxylate Traditional Name: (1S,3S)-3-heptyl-1,6,8-trimethoxy-isochroman-7-carboxylic acid methyl ester Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O6/c1-6-7-8-9-10-11-15-12-14-13-16(23-2)18(20(22)25-4)19(24-3)17(14)21(26-5)27-15/h13,15,21H,6-12H2,1-5H3/t15-,21-/m0/s1