2-[(3R)-5-(2,5-diacetyloxy-3,4,6-trimethyl-phenyl)-3-methyl-pent-1-yn-3-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(3R)-5-(2,5-diacetyloxy-3,4,6-trimethyl-phenyl)-3-methyl-pent-1-yn-3-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1R)-1-[2-(2,5-diacetoxy-3,4,6-trimethyl-phenyl)ethyl]-1-methyl-prop-2-ynoxy]carbonylbenzoic acid CAS Name: 2-[[(3R)-5-(2,5-diacetyloxy-3,4,6-trimethylphenyl)-3-methylpent-1-yn-3-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(3R)-5-(2,5-diacetyloxy-3,4,6-trimethylphenyl)-3-methylpent-1-yn-3-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1R)-1-[2-(2,5-diacetoxy-3,4,6-trimethyl-phenyl)ethyl]-1-methyl-prop-2-ynoxy]carbonylbenzoic acid Formula: C27H28O8 MolecularWeight: 480.50642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC(=O)C)C)CCC(C)(C#C)OC(=O)C2=CC=CC=C2C(=O)O)OC(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC(=O)C)C)CC[C@](C)(C#C)OC(=O)C2=CC=CC=C2C(=O)O)OC(=O)C)C

InChI

InChI=1S/C27H28O8/c1-8-27(7,35-26(32)22-12-10-9-11-21(22)25(30)31)14-13-20-17(4)23(33-18(5)28)15(2)16(3)24(20)34-19(6)29/h1,9-12H,13-14H2,2-7H3,(H,30,31)/t27-/m0/s1