2-[(1R,5S)-2-oxidanylidene-4,5-diphenyl-cyclohex-3-en-1-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(1R,5S)-2-oxidanylidene-4,5-diphenyl-cyclohex-3-en-1-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1R,5S)-2-oxo-4,5-diphenyl-cyclohex-3-en-1-yl]oxycarbonylbenzoic acid CAS Name: 2-[oxo-[[(1R,5S)-2-oxo-4,5-diphenyl-1-cyclohex-3-enyl]oxy]methyl]benzoic acid IUPAC Name: 2-[(1R,5S)-2-oxo-4,5-diphenylcyclohex-3-en-1-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1R,5S)-2-keto-4,5-diphenyl-cyclohex-3-en-1-yl]oxycarbonylbenzoic acid Formula: C26H20O5 MolecularWeight: 412.434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=CC(=O)C1OC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](C(=CC(=O)[C@@H]1OC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H20O5/c27-23-15-21(17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)16-24(23)31-26(30)20-14-8-7-13-19(20)25(28)29/h1-15,22,24H,16H2,(H,28,29)/t22-,24+/m0/s1