4-hexadecyl-3-oxidanyl-phthalic acid

Systemtic Name: 4-hexadecyl-3-oxidanyl-phthalic acid Openeye Name: 4-hexadecyl-3-hydroxy-phthalic acid CAS Name: 4-hexadecyl-3-hydroxyphthalic acid IUPAC Name: 4-hexadecyl-3-hydroxyphthalic acid Traditional Name: 4-cetyl-3-hydroxy-phthalic acid Formula: C24H38O5 MolecularWeight: 406.55552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)O

InChI

InChI=1S/C24H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(23(26)27)21(22(19)25)24(28)29/h17-18,25H,2-16H2,1H3,(H,26,27)(H,28,29)