methyl (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoate

Systemtic Name: methyl (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoate Openeye Name: methyl (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoate CAS Name: (E)-13-(1,3-benzodioxol-5-yl)-12-tridecenoic acid methyl ester IUPAC Name: methyl (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoate Traditional Name: (E)-13-(1,3-benzodioxol-5-yl)tridec-12-enoic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CCCCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C21H30O4/c1-23-21(22)13-11-9-7-5-3-2-4-6-8-10-12-18-14-15-19-20(16-18)25-17-24-19/h10,12,14-16H,2-9,11,13,17H2,1H3/b12-10+