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2-henicosan-9-ylphenolate carbonate

2-henicosan-9-ylphenolate carbonate

Systemtic Name:2-henicosan-9-ylphenolate carbonate
Openeye Name:2-(1-octyltridecyl)phenolate carbonate
CAS Name:2-heneicosan-9-ylphenolate carbonate
IUPAC Name:2-henicosan-9-ylphenolate carbonate
Traditional Name:2-(1-octyltridecyl)phenolate carbonate
Formula: C28H47O4-3
MolecularWeight: 447.67038
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1[O-].C(=O)([O-])[O-]


Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCC)C1=CC=CC=C1[O-].C(=O)([O-])[O-]


InChI

InChI=1S/C27H48O.CH2O3/c1-3-5-7-9-11-12-13-14-16-18-22-25(21-17-15-10-8-6-4-2)26-23-19-20-24-27(26)28;2-1(3)4/h19-20,23-25,28H,3-18,21-22H2,1-2H3;(H2,2,3,4)/p-3


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