(E)-2-methyl-5,6-bis(oxidanyl)-4-triacontanoyloxy-hex-2-enoic acid

Systemtic Name: (E)-2-methyl-5,6-bis(oxidanyl)-4-triacontanoyloxy-hex-2-enoic acid Openeye Name: (E)-5,6-dihydroxy-2-methyl-4-triacontanoyloxy-hex-2-enoic acid CAS Name: (E)-5,6-dihydroxy-2-methyl-4-(1-oxotriacontoxy)-2-hexenoic acid IUPAC Name: (E)-5,6-dihydroxy-2-methyl-4-triacontanoyloxyhex-2-enoic acid Traditional Name: (E)-5,6-dihydroxy-2-methyl-4-triacontanoyloxy-hex-2-enoic acid Formula: C37H70O6 MolecularWeight: 610.9481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C=C(C)C(=O)O)C(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(/C=C(\C)/C(=O)O)C(CO)O

InChI

InChI=1S/C37H70O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(40)43-35(34(39)32-38)31-33(2)37(41)42/h31,34-35,38-39H,3-30,32H2,1-2H3,(H,41,42)/b33-31+