(Z)-19-methyl-20-[(Z)-2-methyl-20-oxidanyl-20-oxidanylidene-icos-11-enoxy]icos-9-enoic acid

Systemtic Name: (Z)-19-methyl-20-[(Z)-2-methyl-20-oxidanyl-20-oxidanylidene-icos-11-enoxy]icos-9-enoic acid Openeye Name: (Z)-20-[(Z)-20-hydroxy-2-methyl-20-oxo-icos-11-enoxy]-19-methyl-icos-9-enoic acid CAS Name: (Z)-20-[(Z)-20-hydroxy-2-methyl-20-oxoeicos-11-enoxy]-19-methyl-9-eicosenoic acid IUPAC Name: (Z)-20-[(Z)-20-hydroxy-2-methyl-20-oxoicos-11-enoxy]-19-methylicos-9-enoic acid Traditional Name: (Z)-20-[(Z)-20-hydroxy-20-keto-2-methyl-eicos-11-enoxy]-19-methyl-eicos-9-enoic acid Formula: C42H78O5 MolecularWeight: 663.06572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCC=CCCCCCCCC(=O)O)COCC(C)CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CC(COCC(CCCCCCCC/C=C\CCCCCCCC(=O)O)C)CCCCCCCC/C=C\CCCCCCCC(=O)O

InChI

InChI=1S/C42H78O5/c1-39(33-29-25-21-17-13-9-5-3-7-11-15-19-23-27-31-35-41(43)44)37-47-38-40(2)34-30-26-22-18-14-10-6-4-8-12-16-20-24-28-32-36-42(45)46/h3-4,7-8,39-40H,5-6,9-38H2,1-2H3,(H,43,44)(H,45,46)/b7-3-,8-4-