3-[(E)-hexadec-1-enyl]phthalic acid

Systemtic Name: 3-[(E)-hexadec-1-enyl]phthalic acid Openeye Name: 3-[(E)-hexadec-1-enyl]phthalic acid CAS Name: 3-[(E)-hexadec-1-enyl]phthalic acid IUPAC Name: 3-[(E)-hexadec-1-enyl]phthalic acid Traditional Name: 3-[(E)-hexadec-1-enyl]phthalic acid Formula: C24H36O4 MolecularWeight: 388.54024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(23(25)26)22(20)24(27)28/h15-19H,2-14H2,1H3,(H,25,26)(H,27,28)/b17-15+