ethyl (5S)-4-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]-5-phenyl-5-phenylmethoxy-pent-2-ynoate

Systemtic Name: ethyl (5S)-4-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]-5-phenyl-5-phenylmethoxy-pent-2-ynoate Openeye Name: ethyl (5S)-5-benzyloxy-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-5-phenyl-pent-2-ynoate CAS Name: (5S)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-5-phenyl-5-phenylmethoxy-2-pentynoic acid ethyl ester IUPAC Name: ethyl (5S)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-5-phenyl-5-phenylmethoxypent-2-ynoate Traditional Name: (5S)-5-benzoxy-4-(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-yl)-5-phenyl-pent-2-ynoic acid ethyl ester Formula: C26H26O7 MolecularWeight: 450.48044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C1C(=O)OC(OC1=O)(C)C)C(C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C#CC(C1C(=O)OC(OC1=O)(C)C)[C@@H](C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26O7/c1-4-30-21(27)16-15-20(22-24(28)32-26(2,3)33-25(22)29)23(19-13-9-6-10-14-19)31-17-18-11-7-5-8-12-18/h5-14,20,22-23H,4,17H2,1-3H3/t20?,23-/m1/s1