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5-(dimethylamino)-2-[(E)-octadec-9-enoxy]pentanoate hydrochloride

5-(dimethylamino)-2-[(E)-octadec-9-enoxy]pentanoate hydrochloride

Systemtic Name:5-(dimethylamino)-2-[(E)-octadec-9-enoxy]pentanoate hydrochloride
Openeye Name:5-(dimethylamino)-2-[(E)-octadec-9-enoxy]pentanoate hydrochloride
CAS Name:5-(dimethylamino)-2-[(E)-octadec-9-enoxy]pentanoate hydrochloride
IUPAC Name:5-(dimethylamino)-2-[(E)-octadec-9-enoxy]pentanoate hydrochloride
Traditional Name:5-(dimethylamino)-2-[(E)-octadec-9-enoxy]valerate hydrochloride
Formula: C25H49ClNO3-
MolecularWeight: 447.11446
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(CCCN(C)C)C(=O)[O-].Cl


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(CCCN(C)C)C(=O)[O-].Cl


InChI

InChI=1S/C25H49NO3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-24(25(27)28)21-20-22-26(2)3;/h11-12,24H,4-10,13-23H2,1-3H3,(H,27,28);1H/p-1/b12-11+;


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