5-[(2R)-butan-2-yl]-3-[[5-[(2R)-butan-2-yl]-3-carboxylato-2-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoate

Systemtic Name: 5-[(2R)-butan-2-yl]-3-[[5-[(2R)-butan-2-yl]-3-carboxylato-2-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoate Openeye Name: 3-[[3-carboxylato-2-hydroxy-5-[(1R)-1-methylpropyl]phenyl]methyl]-2-hydroxy-5-[(1R)-1-methylpropyl]benzoate CAS Name: 5-[(2R)-butan-2-yl]-3-[[5-[(2R)-butan-2-yl]-3-carboxylato-2-hydroxyphenyl]methyl]-2-hydroxybenzoate IUPAC Name: 5-[(2R)-butan-2-yl]-3-[[5-[(2R)-butan-2-yl]-3-carboxylato-2-hydroxyphenyl]methyl]-2-hydroxybenzoate Traditional Name: 3-[3-carboxylato-2-hydroxy-5-[(1R)-1-methylpropyl]benzyl]-2-hydroxy-5-[(1R)-1-methylpropyl]benzoate Formula: C23H26O6-2 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)CC2=C(C(=CC(=C2)C(C)CC)C(=O)[O-])O

Isomeric SMILES

CC[C@@H](C)C1=CC(=C(C(=C1)C(=O)[O-])O)CC2=C(C(=CC(=C2)[C@H](C)CC)C(=O)[O-])O

InChI

InChI=1S/C23H28O6/c1-5-12(3)14-7-16(20(24)18(10-14)22(26)27)9-17-8-15(13(4)6-2)11-19(21(17)25)23(28)29/h7-8,10-13,24-25H,5-6,9H2,1-4H3,(H,26,27)(H,28,29)/p-2/t12-,13-/m1/s1