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

Systemtic Name: (1Z,5Z)-3-butyl-7-pentanoyl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid Openeye Name: (1Z,5Z)-3-butyl-7-pentanoyl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid CAS Name: (1Z,5Z)-3-butyl-7-(1-oxopentyl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid IUPAC Name: (1Z,5Z)-3-butyl-7-pentanoylcycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid Traditional Name: (1Z,5Z)-3-butyl-7-valeryl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid Formula: C21H28O9 MolecularWeight: 424.44162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=C(C(CC(=C1C(=O)O)C(=O)O)C(=O)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28O9/c1-3-5-7-11-9-13(18(23)24)17(21(29)30)12(15(22)8-6-4-2)10-14(19(25)26)16(11)20(27)28/h11-12H,3-10H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b16-14-,17-13-