4-(4-carboxy-3-carboxylato-phenyl)carbonylphthalate; rubidium(1+)

Systemtic Name: 4-(4-carboxy-3-carboxylato-phenyl)carbonylphthalate; rubidium(1+) Openeye Name: 4-(4-carboxy-3-carboxylato-benzoyl)phthalate; rubidium(1+) CAS Name: 4-[(4-carboxy-3-carboxylatophenyl)-oxomethyl]phthalate; rubidium(1+) IUPAC Name: 4-(4-carboxy-3-carboxylatobenzoyl)phthalate; rubidium(1+) Traditional Name: 4-(4-carboxy-3-carboxylato-benzoyl)phthalate; rubidium(1+) Formula: C17H7O9Rb3 MolecularWeight: 611.63548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)O.[Rb+].[Rb+].[Rb+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)O.[Rb+].[Rb+].[Rb+]

InChI

InChI=1S/C17H10O9.3Rb/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-3