2-[[3-[(E)-tridec-1-enyl]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[3-[(E)-tridec-1-enyl]phenyl]methyl]propanedioic acid Openeye Name: 2-[[3-[(E)-tridec-1-enyl]phenyl]methyl]propanedioic acid CAS Name: 2-[[3-[(E)-tridec-1-enyl]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[3-[(E)-tridec-1-enyl]phenyl]methyl]propanedioic acid Traditional Name: 2-[3-[(E)-tridec-1-enyl]benzyl]malonic acid Formula: C23H34O4 MolecularWeight: 374.51366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC1=CC(=CC=C1)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/C1=CC(=CC=C1)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16-20(17-19)18-21(22(24)25)23(26)27/h12-17,21H,2-11,18H2,1H3,(H,24,25)(H,26,27)/b14-12+