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3-(12-oxidanyloctadecoxy)benzoate

3-(12-oxidanyloctadecoxy)benzoate

Systemtic Name:3-(12-oxidanyloctadecoxy)benzoate
Openeye Name:3-(12-hydroxyoctadecoxy)benzoate
CAS Name:3-(12-hydroxyoctadecoxy)benzoate
IUPAC Name:3-(12-hydroxyoctadecoxy)benzoate
Traditional Name:3-(12-hydroxyoctadecoxy)benzoate
Formula: C25H41O4-
MolecularWeight: 405.59064
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCCOC1=CC=CC(=C1)C(=O)[O-])O


Isomeric SMILES

CCCCCCC(CCCCCCCCCCCOC1=CC=CC(=C1)C(=O)[O-])O


InChI

InChI=1S/C25H42O4/c1-2-3-4-12-17-23(26)18-13-10-8-6-5-7-9-11-14-20-29-24-19-15-16-22(21-24)25(27)28/h15-16,19,21,23,26H,2-14,17-18,20H2,1H3,(H,27,28)/p-1


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