3-(3,4-dicarboxyphenyl)-1,1,3-trimethyl-2H-indene-4,5-dicarboxylic acid

Systemtic Name: 3-(3,4-dicarboxyphenyl)-1,1,3-trimethyl-2H-indene-4,5-dicarboxylic acid Openeye Name: 3-(3,4-dicarboxyphenyl)-1,1,3-trimethyl-indane-4,5-dicarboxylic acid CAS Name: 3-(3,4-dicarboxyphenyl)-1,1,3-trimethyl-2H-indene-4,5-dicarboxylic acid IUPAC Name: 3-(3,4-dicarboxyphenyl)-1,1,3-trimethyl-2H-indene-4,5-dicarboxylic acid Traditional Name: 3-(3,4-dicarboxyphenyl)-1,1,3-trimethyl-indane-4,5-dicarboxylic acid Formula: C22H20O8 MolecularWeight: 412.3894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C1C=CC(=C2C(=O)O)C(=O)O)(C)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(CC(C2=C1C=CC(=C2C(=O)O)C(=O)O)(C)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C22H20O8/c1-21(2)9-22(3,10-4-5-11(17(23)24)13(8-10)19(27)28)16-14(21)7-6-12(18(25)26)15(16)20(29)30/h4-8H,9H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)