(9E)-20-[5-methyl-2,4-bis(oxidanyl)heptoxy]carbonylhenicosa-9,20-dienoic acid

Systemtic Name: (9E)-20-[5-methyl-2,4-bis(oxidanyl)heptoxy]carbonylhenicosa-9,20-dienoic acid Openeye Name: (9E)-20-(2,4-dihydroxy-5-methyl-heptoxy)carbonylhenicosa-9,20-dienoic acid CAS Name: (9E)-20-[(2,4-dihydroxy-5-methylheptoxy)-oxomethyl]heneicosa-9,20-dienoic acid IUPAC Name: (9E)-20-(2,4-dihydroxy-5-methylheptoxy)carbonylhenicosa-9,20-dienoic acid Traditional Name: (9E)-20-(2,4-dihydroxy-5-methyl-heptoxy)carbonylheneicosa-9,20-dienoic acid Formula: C30H54O6 MolecularWeight: 510.74616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(COC(=O)C(=C)CCCCCCCCCC=CCCCCCCCC(=O)O)O)O

Isomeric SMILES

CCC(C)C(CC(COC(=O)C(=C)CCCCCCCCC/C=C/CCCCCCCC(=O)O)O)O

InChI

InChI=1S/C30H54O6/c1-4-25(2)28(32)23-27(31)24-36-30(35)26(3)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-29(33)34/h6,8,25,27-28,31-32H,3-5,7,9-24H2,1-2H3,(H,33,34)/b8-6+