5-[(3-carboxylato-4-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-oxidanyl-3-propan-2-yl-benzoate

Systemtic Name: 5-[(3-carboxylato-4-oxidanyl-5-propan-2-yl-phenyl)methyl]-2-oxidanyl-3-propan-2-yl-benzoate Openeye Name: 5-[(3-carboxylato-4-hydroxy-5-isopropyl-phenyl)methyl]-2-hydroxy-3-isopropyl-benzoate CAS Name: 5-[(3-carboxylato-4-hydroxy-5-propan-2-ylphenyl)methyl]-2-hydroxy-3-propan-2-ylbenzoate IUPAC Name: 5-[(3-carboxylato-4-hydroxy-5-propan-2-ylphenyl)methyl]-2-hydroxy-3-propan-2-ylbenzoate Traditional Name: 5-(3-carboxylato-4-hydroxy-5-isopropyl-benzyl)-2-hydroxy-3-isopropyl-benzoate Formula: C21H22O6-2 MolecularWeight: 370.39578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O6/c1-10(2)14-6-12(8-16(18(14)22)20(24)25)5-13-7-15(11(3)4)19(23)17(9-13)21(26)27/h6-11,22-23H,5H2,1-4H3,(H,24,25)(H,26,27)/p-2