4-hexadecoxycarbonylphthalic acid

Systemtic Name: 4-hexadecoxycarbonylphthalic acid Openeye Name: 4-hexadecoxycarbonylphthalic acid CAS Name: 4-[hexadecoxy(oxo)methyl]phthalic acid IUPAC Name: 4-hexadecoxycarbonylphthalic acid Traditional Name: 4-cetyloxycarbonylphthalic acid Formula: C25H38O6 MolecularWeight: 434.56562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C25H38O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-25(30)20-16-17-21(23(26)27)22(19-20)24(28)29/h16-17,19H,2-15,18H2,1H3,(H,26,27)(H,28,29)