[1-[(2S)-1-(oxan-2-yloxy)-3-phenylmethoxy-propan-2-yl]-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] benzoate

Systemtic Name: [1-[(2S)-1-(oxan-2-yloxy)-3-phenylmethoxy-propan-2-yl]-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] benzoate Openeye Name: [1-[(1S)-1-(benzyloxymethyl)-2-tetrahydropyran-2-yloxy-ethyl]-4-oxo-cyclohexa-2,5-dien-1-yl] benzoate CAS Name: benzoic acid [1-[(2S)-1-(2-oxanyloxy)-3-phenylmethoxypropan-2-yl]-4-oxo-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-[(2S)-1-(oxan-2-yloxy)-3-phenylmethoxypropan-2-yl]-4-oxocyclohexa-2,5-dien-1-yl] benzoate Traditional Name: benzoic acid [1-[(1S)-1-(benzoxymethyl)-2-tetrahydropyran-2-yloxy-ethyl]-4-keto-cyclohexa-2,5-dien-1-yl] ester Formula: C28H30O6 MolecularWeight: 462.5342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC(COCC2=CC=CC=C2)C3(C=CC(=O)C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OC[C@H](COCC2=CC=CC=C2)C3(C=CC(=O)C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30O6/c29-25-14-16-28(17-15-25,34-27(30)23-11-5-2-6-12-23)24(21-33-26-13-7-8-18-32-26)20-31-19-22-9-3-1-4-10-22/h1-6,9-12,14-17,24,26H,7-8,13,18-21H2/t24-,26?/m0/s1