(1S,6S)-6-[(R)-(3,4-dimethylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(3,4-dimethylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(3,4-dimethylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(3,4-dimethylphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(3,4-dimethylphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(3,4-dimethylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C16H19O3- MolecularWeight: 259.32026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2CC=CCC2C(=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]([C@H]2CC=CC[C@@H]2C(=O)[O-])O)C

InChI

InChI=1S/C16H20O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h3-4,7-9,13-15,17H,5-6H2,1-2H3,(H,18,19)/p-1/t13-,14-,15-/m0/s1