(1S,2R,5S,6S)-6-methoxycarbonyl-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,2R,5S,6S)-6-methoxycarbonyl-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,2R,5S,6S)-6-methoxycarbonyl-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,2R,5S,6S)-6-methoxycarbonyl-2,5-diphenyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,2R,5S,6S)-6-methoxycarbonyl-2,5-diphenylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,2R,5S,6S)-6-carbomethoxy-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C=CC(C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1[C@H](C=C[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20O4/c1-25-21(24)19-17(15-10-6-3-7-11-15)13-12-16(18(19)20(22)23)14-8-4-2-5-9-14/h2-13,16-19H,1H3,(H,22,23)/t16-,17+,18-,19-/m0/s1