butyl (3R)-1,3,5-triacetyloxy-4-[(E)-3-(4-acetyloxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylate

Systemtic Name: butyl (3R)-1,3,5-triacetyloxy-4-[(E)-3-(4-acetyloxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylate Openeye Name: butyl (3R)-1,3,5-triacetoxy-4-[(E)-3-(4-acetoxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexanecarboxylate CAS Name: (3R)-1,3,5-triacetyloxy-4-[(E)-3-(4-acetyloxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl (3R)-1,3,5-triacetyloxy-4-[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate Traditional Name: (3R)-1,3,5-triacetoxy-4-[(E)-3-(4-acetoxy-3-methoxy-phenyl)acryloyl]oxy-cyclohexanecarboxylic acid butyl ester Formula: C29H36O13 MolecularWeight: 592.58834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CC(C(C(C1)OC(=O)C)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCOC(=O)C1(C[C@H](C(C(C1)OC(=O)C)OC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H36O13/c1-7-8-13-37-28(35)29(42-20(5)33)15-24(39-18(3)31)27(25(16-29)40-19(4)32)41-26(34)12-10-21-9-11-22(38-17(2)30)23(14-21)36-6/h9-12,14,24-25,27H,7-8,13,15-16H2,1-6H3/b12-10+/t24-,25?,27?,29?/m1/s1