[(2R,3R,4R,5S)-5-methyl-1,2-bis(oxidanyl)-4-phenylmethoxy-hept-6-en-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S)-5-methyl-1,2-bis(oxidanyl)-4-phenylmethoxy-hept-6-en-3-yl] benzoate Openeye Name: [(1R,2R,3S)-2-benzyloxy-1-[(1R)-1,2-dihydroxyethyl]-3-methyl-pent-4-enyl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S)-1,2-dihydroxy-5-methyl-4-phenylmethoxyhept-6-en-3-yl] ester IUPAC Name: [(2R,3R,4R,5S)-1,2-dihydroxy-5-methyl-4-phenylmethoxyhept-6-en-3-yl] benzoate Traditional Name: benzoic acid [(1R,2R,3S)-2-benzoxy-1-[(1R)-1,2-dihydroxyethyl]-3-methyl-pent-4-enyl] ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(C(CO)O)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C=C)[C@H]([C@@H]([C@@H](CO)O)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26O5/c1-3-16(2)20(26-15-17-10-6-4-7-11-17)21(19(24)14-23)27-22(25)18-12-8-5-9-13-18/h3-13,16,19-21,23-24H,1,14-15H2,2H3/t16-,19+,20+,21+/m0/s1