3-ethylpentan-2-yl 4-[4-(4-decoxyphenyl)phenyl]carbonyloxy-3-methyl-benzene-2-ide-1-carboxylate; yttrium(3+)

Systemtic Name: 3-ethylpentan-2-yl 4-[4-(4-decoxyphenyl)phenyl]carbonyloxy-3-methyl-benzene-2-ide-1-carboxylate; yttrium(3+) Openeye Name: (2-ethyl-1-methyl-butyl) 4-[4-(4-decoxyphenyl)benzoyl]oxy-3-methyl-benzene-2-ide-1-carboxylate; yttrium(3+) CAS Name: 4-[[4-(4-decoxyphenyl)phenyl]-oxomethoxy]-3-methyl-1-benzene-2-idecarboxylic acid 3-ethylpentan-2-yl ester; yttrium(3+) IUPAC Name: 3-ethylpentan-2-yl 4-[4-(4-decoxyphenyl)benzoyl]oxy-3-methylbenzene-2-ide-1-carboxylate; yttrium(3+) Traditional Name: 4-[4-(4-decoxyphenyl)benzoyl]oxy-3-methyl-benzene-2-ide-1-carboxylic acid (2-ethyl-1-methyl-butyl) ester; yttrium(3+) Formula: C38H49O5Y+2 MolecularWeight: 674.69851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C([C-]=C(C=C3)C(=O)OC(C)C(CC)CC)C.[Y+3]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C([C-]=C(C=C3)C(=O)OC(C)C(CC)CC)C.[Y+3]

InChI

InChI=1S/C38H49O5.Y/c1-6-9-10-11-12-13-14-15-26-41-35-23-20-32(21-24-35)31-16-18-33(19-17-31)37(39)43-36-25-22-34(27-28(36)4)38(40)42-29(5)30(7-2)8-3;/h16-25,29-30H,6-15,26H2,1-5H3;/q-1;+3