[(2R,3R,4R,5S,6S)-2-butyl-5-iodanyl-6-methoxy-4-(4-methoxyphenyl)carbonyloxy-oxan-3-yl] 4-methoxybenzoate

Systemtic Name: [(2R,3R,4R,5S,6S)-2-butyl-5-iodanyl-6-methoxy-4-(4-methoxyphenyl)carbonyloxy-oxan-3-yl] 4-methoxybenzoate Openeye Name: [(2R,3R,4R,5S,6S)-2-butyl-5-iodo-6-methoxy-4-(4-methoxybenzoyl)oxy-tetrahydropyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3R,4R,5S,6S)-2-butyl-5-iodo-6-methoxy-4-[(4-methoxyphenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6S)-2-butyl-5-iodo-6-methoxy-4-(4-methoxybenzoyl)oxyoxan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R,3R,4R,5S,6S)-2-butyl-5-iodo-6-methoxy-4-p-anisoyloxy-tetrahydropyran-3-yl] ester Formula: C26H31IO8 MolecularWeight: 598.42401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C(C(O1)OC)I)OC(=O)C2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)I)OC(=O)C2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H31IO8/c1-5-6-7-20-22(34-24(28)16-8-12-18(30-2)13-9-16)23(21(27)26(32-4)33-20)35-25(29)17-10-14-19(31-3)15-11-17/h8-15,20-23,26H,5-7H2,1-4H3/t20-,21+,22-,23+,26+/m1/s1