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

Systemtic Name: (1S,6S)-6-[(R)-(4-tert-butylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(4-tert-butylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(4-tert-butylphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(4-tert-butylphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(4-tert-butylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C18H23O3- MolecularWeight: 287.37342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h4-5,8-11,14-16,19H,6-7H2,1-3H3,(H,20,21)/p-1/t14-,15-,16-/m0/s1