3-hexadecoxyphthalic acid

Systemtic Name: 3-hexadecoxyphthalic acid Openeye Name: 3-hexadecoxyphthalic acid CAS Name: 3-hexadecoxyphthalic acid IUPAC Name: 3-hexadecoxyphthalic acid Traditional Name: 3-cetyloxyphthalic acid Formula: C24H38O5 MolecularWeight: 406.55552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C24H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-21-18-16-17-20(23(25)26)22(21)24(27)28/h16-18H,2-15,19H2,1H3,(H,25,26)(H,27,28)