4-(2-carboxyethyl)-4-(3-carboxyphenyl)cyclohexa-2,5-diene-1,1-dicarboxylic acid

Systemtic Name: 4-(2-carboxyethyl)-4-(3-carboxyphenyl)cyclohexa-2,5-diene-1,1-dicarboxylic acid Openeye Name: 4-(2-carboxyethyl)-4-(3-carboxyphenyl)cyclohexa-2,5-diene-1,1-dicarboxylic acid CAS Name: 4-(2-carboxyethyl)-4-(3-carboxyphenyl)cyclohexa-2,5-diene-1,1-dicarboxylic acid IUPAC Name: 4-(2-carboxyethyl)-4-(3-carboxyphenyl)cyclohexa-2,5-diene-1,1-dicarboxylic acid Traditional Name: 4-(2-carboxyethyl)-4-(3-carboxyphenyl)cyclohexa-2,5-diene-1,1-dicarboxylic acid Formula: C18H16O8 MolecularWeight: 360.31484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2(C=CC(C=C2)(C(=O)O)C(=O)O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C2(C=CC(C=C2)(C(=O)O)C(=O)O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H16O8/c19-13(20)4-5-17(12-3-1-2-11(10-12)14(21)22)6-8-18(9-7-17,15(23)24)16(25)26/h1-3,6-10H,4-5H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)