(E)-5-(hydroxymethyl)-5-oxidanyl-2-pentadecyl-heptadec-2-enedioic acid

Systemtic Name: (E)-5-(hydroxymethyl)-5-oxidanyl-2-pentadecyl-heptadec-2-enedioic acid Openeye Name: (E)-5-hydroxy-5-(hydroxymethyl)-2-pentadecyl-heptadec-2-enedioic acid CAS Name: (E)-5-hydroxy-5-(hydroxymethyl)-2-pentadecyl-2-heptadecenedioic acid IUPAC Name: (E)-5-hydroxy-5-(hydroxymethyl)-2-pentadecylheptadec-2-enedioic acid Traditional Name: (E)-5-hydroxy-5-methylol-2-pentadecyl-heptadec-2-enedioic acid Formula: C33H62O6 MolecularWeight: 554.84178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=CCC(CCCCCCCCCCCC(=O)O)(CO)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C(=C\CC(CCCCCCCCCCCC(=O)O)(CO)O)/C(=O)O

InChI

InChI=1S/C33H62O6/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-30(32(37)38)26-28-33(39,29-34)27-23-20-17-14-11-13-16-19-22-25-31(35)36/h26,34,39H,2-25,27-29H2,1H3,(H,35,36)(H,37,38)/b30-26+