O6-methyl O1-[(1S,2S)-2-oxidanyl-1,2-diphenyl-ethyl] (2E,4E)-2-methylhexa-2,4-dienedioate

Systemtic Name: O6-methyl O1-[(1S,2S)-2-oxidanyl-1,2-diphenyl-ethyl] (2E,4E)-2-methylhexa-2,4-dienedioate Openeye Name: O1-[(1S,2S)-2-hydroxy-1,2-diphenyl-ethyl] O6-methyl (2E,4E)-2-methylhexa-2,4-dienedioate CAS Name: (2E,4E)-2-methylhexa-2,4-dienedioic acid O1-[(1S,2S)-2-hydroxy-1,2-diphenylethyl] ester O6-methyl ester IUPAC Name: 1-O-[(1S,2S)-2-hydroxy-1,2-diphenylethyl] 6-O-methyl (2E,4E)-2-methylhexa-2,4-dienedioate Traditional Name: (2E,4E)-2-methylmuconic acid O1-[(1S,2S)-2-hydroxy-1,2-diphenyl-ethyl] ester O6-methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC(=O)OC)C(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)O

Isomeric SMILES

C/C(=C\C=C\C(=O)OC)/C(=O)O[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C22H22O5/c1-16(10-9-15-19(23)26-2)22(25)27-21(18-13-7-4-8-14-18)20(24)17-11-5-3-6-12-17/h3-15,20-21,24H,1-2H3/b15-9+,16-10+/t20-,21-/m0/s1