5-(4-butan-2-ylphenyl)-7-ethoxycarbonyl-9-methoxycarbonyl-2,2,7-trimethyl-undecanoic acid

Systemtic Name: 5-(4-butan-2-ylphenyl)-7-ethoxycarbonyl-9-methoxycarbonyl-2,2,7-trimethyl-undecanoic acid Openeye Name: 7-ethoxycarbonyl-9-methoxycarbonyl-2,2,7-trimethyl-5-(4-sec-butylphenyl)undecanoic acid CAS Name: 5-(4-butan-2-ylphenyl)-7-ethoxycarbonyl-9-methoxycarbonyl-2,2,7-trimethylundecanoic acid IUPAC Name: 5-(4-butan-2-ylphenyl)-7-ethoxycarbonyl-9-methoxycarbonyl-2,2,7-trimethylundecanoic acid Traditional Name: 7-carbethoxy-9-carbomethoxy-2,2,7-trimethyl-5-(4-sec-butylphenyl)undecanoic acid Formula: C29H46O6 MolecularWeight: 490.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CCC(C)(C)C(=O)O)CC(C)(CC(CC)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CCC(C)(C)C(=O)O)CC(C)(CC(CC)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C29H46O6/c1-9-20(4)22-12-14-23(15-13-22)24(16-17-28(5,6)26(31)32)19-29(7,27(33)35-11-3)18-21(10-2)25(30)34-8/h12-15,20-21,24H,9-11,16-19H2,1-8H3,(H,31,32)