[(3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl] 2-hex-1-ynylbenzoate

Systemtic Name: [(3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl] 2-hex-1-ynylbenzoate Openeye Name: [(3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl] 2-hex-1-ynylbenzoate CAS Name: 2-hex-1-ynylbenzoic acid [(3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl] ester IUPAC Name: [(3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl] 2-hex-1-ynylbenzoate Traditional Name: 2-hex-1-ynylbenzoic acid [(3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl] ester Formula: C25H30O9 MolecularWeight: 474.5003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1C(=O)OC2C(C(C(C(O2)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCC#CC1=CC=CC=C1C(=O)OC2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H30O9/c1-6-7-8-9-12-19-13-10-11-14-20(19)24(29)34-25-23(33-18(5)28)22(32-17(4)27)21(15(2)30-25)31-16(3)26/h10-11,13-15,21-23,25H,6-8H2,1-5H3/t15-,21-,22+,23+,25?/m0/s1