(E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoic acid

Systemtic Name: (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoic acid Openeye Name: (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoic acid CAS Name: (E)-13-(1,3-benzodioxol-5-yl)-12-tridecenoic acid IUPAC Name: (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoic acid Traditional Name: (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoic acid Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CCCCCCCCCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/CCCCCCCCCCC(=O)O

InChI

InChI=1S/C20H28O4/c21-20(22)12-10-8-6-4-2-1-3-5-7-9-11-17-13-14-18-19(15-17)24-16-23-18/h9,11,13-15H,1-8,10,12,16H2,(H,21,22)/b11-9+