2,3-bis(oxidanyl)-2-(2-phenoxyundecan-2-yl)butanedioate

Systemtic Name: 2,3-bis(oxidanyl)-2-(2-phenoxyundecan-2-yl)butanedioate Openeye Name: 2,3-dihydroxy-2-(1-methyl-1-phenoxy-decyl)butanedioate CAS Name: 2,3-dihydroxy-2-(2-phenoxyundecan-2-yl)butanedioate IUPAC Name: 2,3-dihydroxy-2-(2-phenoxyundecan-2-yl)butanedioate Traditional Name: 2,3-dihydroxy-2-(1-methyl-1-phenoxy-decyl)succinate Formula: C21H30O7-2 MolecularWeight: 394.4587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C(C(C(=O)[O-])O)(C(=O)[O-])O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC(C)(C(C(C(=O)[O-])O)(C(=O)[O-])O)OC1=CC=CC=C1

InChI

InChI=1S/C21H32O7/c1-3-4-5-6-7-8-12-15-20(2,28-16-13-10-9-11-14-16)21(27,19(25)26)17(22)18(23)24/h9-11,13-14,17,22,27H,3-8,12,15H2,1-2H3,(H,23,24)(H,25,26)/p-2