3-[1-(5,6-dicarboxycyclohexa-2,4-dien-1-yl)ethyl]phthalic acid

Systemtic Name: 3-[1-(5,6-dicarboxycyclohexa-2,4-dien-1-yl)ethyl]phthalic acid Openeye Name: 3-[1-(5,6-dicarboxycyclohexa-2,4-dien-1-yl)ethyl]phthalic acid CAS Name: 3-[1-(5,6-dicarboxy-1-cyclohexa-2,4-dienyl)ethyl]phthalic acid IUPAC Name: 3-[1-(5,6-dicarboxycyclohexa-2,4-dien-1-yl)ethyl]phthalic acid Traditional Name: 3-[1-(5,6-dicarboxycyclohexa-2,4-dien-1-yl)ethyl]phthalic acid Formula: C18H16O8 MolecularWeight: 360.31484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O8/c1-8(9-4-2-6-11(15(19)20)13(9)17(23)24)10-5-3-7-12(16(21)22)14(10)18(25)26/h2-9,13H,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)