(E)-13-(hydroxymethyl)-3,5,7-trimethyl-12-oxidanyl-tetradec-2-enedioic acid

Systemtic Name: (E)-13-(hydroxymethyl)-3,5,7-trimethyl-12-oxidanyl-tetradec-2-enedioic acid Openeye Name: (E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-tetradec-2-enedioic acid CAS Name: (E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2-tetradecenedioic acid IUPAC Name: (E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradec-2-enedioic acid Traditional Name: (E)-12-hydroxy-3,5,7-trimethyl-13-methylol-tetradec-2-enedioic acid Formula: C18H32O6 MolecularWeight: 344.44308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(C(CO)C(=O)O)O)CC(C)CC(=CC(=O)O)C

Isomeric SMILES

CC(CCCCC(C(CO)C(=O)O)O)CC(C)C/C(=C/C(=O)O)/C

InChI

InChI=1S/C18H32O6/c1-12(8-13(2)9-14(3)10-17(21)22)6-4-5-7-16(20)15(11-19)18(23)24/h10,12-13,15-16,19-20H,4-9,11H2,1-3H3,(H,21,22)(H,23,24)/b14-10+