(E)-2-[(E)-hexadec-7-enyl]-2-oxidanyl-3-oxidanylidene-icos-4-enoic acid

Systemtic Name: (E)-2-[(E)-hexadec-7-enyl]-2-oxidanyl-3-oxidanylidene-icos-4-enoic acid Openeye Name: (E)-2-[(E)-hexadec-7-enyl]-2-hydroxy-3-oxo-icos-4-enoic acid CAS Name: (E)-2-[(E)-hexadec-7-enyl]-2-hydroxy-3-oxo-4-eicosenoic acid IUPAC Name: (E)-2-[(E)-hexadec-7-enyl]-2-hydroxy-3-oxoicos-4-enoic acid Traditional Name: (E)-2-[(E)-hexadec-7-enyl]-2-hydroxy-3-keto-eicos-4-enoic acid Formula: C36H66O4 MolecularWeight: 562.90684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)C(CCCCCCC=CCCCCCCCC)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)C(CCCCCC/C=C/CCCCCCCC)(C(=O)O)O

InChI

InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(37)36(40,35(38)39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,30,32,40H,3-17,19-20,22-29,31,33H2,1-2H3,(H,38,39)/b21-18+,32-30+