13-(3H-1,2-benzodioxol-6-yloxy)-8-ethanoyl-12-oxidanyl-tridecanoic acid

Systemtic Name: 13-(3H-1,2-benzodioxol-6-yloxy)-8-ethanoyl-12-oxidanyl-tridecanoic acid Openeye Name: 8-acetyl-13-(3H-1,2-benzodioxol-6-yloxy)-12-hydroxy-tridecanoic acid CAS Name: 8-acetyl-13-(3H-1,2-benzodioxol-6-yloxy)-12-hydroxytridecanoic acid IUPAC Name: 8-acetyl-13-(3H-1,2-benzodioxol-6-yloxy)-12-hydroxytridecanoic acid Traditional Name: 8-acetyl-13-(3H-1,2-benzodioxol-6-yloxy)-12-hydroxy-tridecanoic acid Formula: C22H32O7 MolecularWeight: 408.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC2=C(COO2)C=C1)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC2=C(COO2)C=C1)O

InChI

InChI=1S/C22H32O7/c1-16(23)17(7-4-2-3-5-10-22(25)26)8-6-9-19(24)15-27-20-12-11-18-14-28-29-21(18)13-20/h11-13,17,19,24H,2-10,14-15H2,1H3,(H,25,26)