methyl (4S,4aR)-8-methoxy-4-methyl-4-oxidanyl-1,3,4a,7-tetrahydroisochromene-7-carboxylate

Systemtic Name: methyl (4S,4aR)-8-methoxy-4-methyl-4-oxidanyl-1,3,4a,7-tetrahydroisochromene-7-carboxylate Openeye Name: methyl (4S,4aR)-4-hydroxy-8-methoxy-4-methyl-1,3,4a,7-tetrahydroisochromene-7-carboxylate CAS Name: (4S,4aR)-4-hydroxy-8-methoxy-4-methyl-1,3,4a,7-tetrahydro-2-benzopyran-7-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR)-4-hydroxy-8-methoxy-4-methyl-1,3,4a,7-tetrahydroisochromene-7-carboxylate Traditional Name: (4S,4aR)-4-hydroxy-8-methoxy-4-methyl-1,3,4a,7-tetrahydroisochromene-7-carboxylic acid methyl ester Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCC2=C(C(C=CC21)C(=O)OC)OC)O

Isomeric SMILES

C[C@]1(COCC2=C(C(C=C[C@H]21)C(=O)OC)OC)O

InChI

InChI=1S/C13H18O5/c1-13(15)7-18-6-9-10(13)5-4-8(11(9)16-2)12(14)17-3/h4-5,8,10,15H,6-7H2,1-3H3/t8?,10-,13-/m1/s1