(1Z,5Z,7E)-3-butyl-7-pentylidene-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid

Systemtic Name: (1Z,5Z,7E)-3-butyl-7-pentylidene-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid Openeye Name: (1Z,5Z,7E)-3-butyl-7-pentylidene-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid CAS Name: (1Z,5Z,7E)-3-butyl-7-pentylidenecycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid IUPAC Name: (1Z,5Z,7E)-3-butyl-7-pentylidenecycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid Traditional Name: (1Z,5Z,7E)-3-butyl-7-pentylidene-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid Formula: C21H28O8 MolecularWeight: 408.44222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C1CC(=C(C(CC(=C1C(=O)O)C(=O)O)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCC/C=C/1\C/C(=C(\C(C/C(=C1/C(=O)O)/C(=O)O)CCCC)/C(=O)O)/C(=O)O

InChI

InChI=1S/C21H28O8/c1-3-5-7-9-13-11-15(19(24)25)16(20(26)27)12(8-6-4-2)10-14(18(22)23)17(13)21(28)29/h9,12H,3-8,10-11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b13-9+,16-15-,17-14-