[(3S,4R,5S)-6-oxidanylidene-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl] benzoate

Systemtic Name: [(3S,4R,5S)-6-oxidanylidene-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl] benzoate Openeye Name: [(1S,2R,3S)-2,3,5-tribenzyloxy-4-oxo-1-vinyl-pentyl] benzoate CAS Name: benzoic acid [(3S,4R,5S)-6-oxo-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl] ester IUPAC Name: [(3S,4R,5S)-6-oxo-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1R,2S)-1,2,4-tribenzoxy-3-keto-butyl]allyl] ester Formula: C35H34O6 MolecularWeight: 550.64086

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C(C(=O)COCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C=C[C@@H]([C@H]([C@@H](C(=O)COCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H34O6/c1-2-32(41-35(37)30-21-13-6-14-22-30)34(40-25-29-19-11-5-12-20-29)33(39-24-28-17-9-4-10-18-28)31(36)26-38-23-27-15-7-3-8-16-27/h2-22,32-34H,1,23-26H2/t32-,33+,34+/m0/s1