(1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-cyclohex-3-ene-1-carboxylic acid Formula: C19H26O3 MolecularWeight: 302.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1OC)C(=O)O)(C)C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C([C@@H](C[C@@H]1OC)C(=O)O)(C)C)CCC2=CC=CC=C2

InChI

InChI=1S/C19H26O3/c1-13-15(11-10-14-8-6-5-7-9-14)19(2,3)16(18(20)21)12-17(13)22-4/h5-9,16-17H,10-12H2,1-4H3,(H,20,21)/t16-,17-/m0/s1