(9Z,12Z)-3-carbonoperoxoyl-2-oxidanyl-icosa-9,12-diene-1,2,20-tricarboxylic acid

Systemtic Name: (9Z,12Z)-3-carbonoperoxoyl-2-oxidanyl-icosa-9,12-diene-1,2,20-tricarboxylic acid Openeye Name: (9Z,12Z)-3-carbonoperoxoyl-2-hydroxy-icosa-9,12-diene-1,2,20-tricarboxylic acid CAS Name: (9Z,12Z)-3-carbonoperoxoyl-2-hydroxyeicosa-9,12-diene-1,2,20-tricarboxylic acid IUPAC Name: (9Z,12Z)-3-carbonoperoxoyl-2-hydroxyicosa-9,12-diene-1,2,20-tricarboxylic acid Traditional Name: (9Z,12Z)-3-carbonoperoxoyl-2-hydroxy-eicosa-9,12-diene-1,2,20-tricarboxylic acid Formula: C24H38O10 MolecularWeight: 486.55252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCC=CCC=CCCCCCC(C(=O)OO)C(CC(=O)O)(C(=O)O)O)CCCC(=O)O

Isomeric SMILES

C(CCC/C=C\C/C=C\CCCCCC(C(=O)OO)C(CC(=O)O)(C(=O)O)O)CCCC(=O)O

InChI

InChI=1S/C24H38O10/c25-20(26)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(22(29)34-33)24(32,23(30)31)18-21(27)28/h1,3-4,6,19,32-33H,2,5,7-18H2,(H,25,26)(H,27,28)(H,30,31)/b3-1-,6-4-