methyl (3S,3aS,4R)-3,7-dimethyl-3-oxidanyl-1,2,3a,4-tetrahydroindene-4-carboxylate

Systemtic Name: methyl (3S,3aS,4R)-3,7-dimethyl-3-oxidanyl-1,2,3a,4-tetrahydroindene-4-carboxylate Openeye Name: methyl (3S,3aS,4R)-3-hydroxy-3,7-dimethyl-1,2,3a,4-tetrahydroindene-4-carboxylate CAS Name: (3S,3aS,4R)-3-hydroxy-3,7-dimethyl-1,2,3a,4-tetrahydroindene-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aS,4R)-3-hydroxy-3,7-dimethyl-1,2,3a,4-tetrahydroindene-4-carboxylate Traditional Name: (3S,3aS,4R)-3-hydroxy-3,7-dimethyl-1,2,3a,4-tetrahydroindene-4-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(C2C(C=C1)C(=O)OC)(C)O

Isomeric SMILES

CC1=C2CC[C@]([C@H]2[C@@H](C=C1)C(=O)OC)(C)O

InChI

InChI=1S/C13H18O3/c1-8-4-5-10(12(14)16-3)11-9(8)6-7-13(11,2)15/h4-5,10-11,15H,6-7H2,1-3H3/t10-,11-,13+/m1/s1