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

Systemtic Name: 3-[(3-carboxylato-2-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-oxidanyl-5-propan-2-yl-benzoate Openeye Name: 3-[(3-carboxylato-2-hydroxy-5-isopropyl-phenyl)methyl]-2-hydroxy-5-isopropyl-benzoate CAS Name: 3-[(3-carboxylato-2-hydroxy-5-propan-2-ylphenyl)methyl]-2-hydroxy-5-propan-2-ylbenzoate IUPAC Name: 3-[(3-carboxylato-2-hydroxy-5-propan-2-ylphenyl)methyl]-2-hydroxy-5-propan-2-ylbenzoate Traditional Name: 3-(3-carboxylato-2-hydroxy-5-isopropyl-benzyl)-2-hydroxy-5-isopropyl-benzoate Formula: C21H22O6-2 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O6/c1-10(2)12-5-14(18(22)16(8-12)20(24)25)7-15-6-13(11(3)4)9-17(19(15)23)21(26)27/h5-6,8-11,22-23H,7H2,1-4H3,(H,24,25)(H,26,27)/p-2