2-[6,10-bis(oxidanyl)undecyl]-3-octyl-4,6-bis(oxidanyl)benzoate

Systemtic Name: 2-[6,10-bis(oxidanyl)undecyl]-3-octyl-4,6-bis(oxidanyl)benzoate Openeye Name: 2-(6,10-dihydroxyundecyl)-4,6-dihydroxy-3-octyl-benzoate CAS Name: 2-(6,10-dihydroxyundecyl)-4,6-dihydroxy-3-octylbenzoate IUPAC Name: 2-(6,10-dihydroxyundecyl)-4,6-dihydroxy-3-octylbenzoate Traditional Name: 2-(6,10-dihydroxyundecyl)-4,6-dihydroxy-3-octyl-benzoate Formula: C26H43O6- MolecularWeight: 451.61602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C(=C1CCCCCC(CCCC(C)O)O)C(=O)[O-])O)O

Isomeric SMILES

CCCCCCCCC1=C(C=C(C(=C1CCCCCC(CCCC(C)O)O)C(=O)[O-])O)O

InChI

InChI=1S/C26H44O6/c1-3-4-5-6-7-10-16-21-22(25(26(31)32)24(30)18-23(21)29)17-11-8-9-14-20(28)15-12-13-19(2)27/h18-20,27-30H,3-17H2,1-2H3,(H,31,32)/p-1