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2-[3-(3-butylphenyl)-2-phosphonato-propyl]hexan-1-ol; nickel(2+)

2-[3-(3-butylphenyl)-2-phosphonato-propyl]hexan-1-ol; nickel(2+)

Systemtic Name:2-[3-(3-butylphenyl)-2-phosphonato-propyl]hexan-1-ol; nickel(2+)
Openeye Name:nickelous 2-[3-(3-butylphenyl)-2-phosphonato-propyl]hexan-1-ol
CAS Name:2-[3-(3-butylphenyl)-2-phosphonatopropyl]-1-hexanol; nickel(2+)
IUPAC Name:2-[3-(3-butylphenyl)-2-phosphonatopropyl]hexan-1-ol; nickel(2+)
Traditional Name:nickelous 2-[3-(3-butylphenyl)-2-phosphonato-propyl]hexan-1-ol
Formula: C19H31NiO4P
MolecularWeight: 413.114201
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)CC(CC(CCCC)CO)P(=O)([O-])[O-].[Ni+2]


Isomeric SMILES

CCCCC1=CC(=CC=C1)CC(CC(CCCC)CO)P(=O)([O-])[O-].[Ni+2]


InChI

InChI=1S/C19H33O4P.Ni/c1-3-5-8-16-10-7-11-17(12-16)13-19(24(21,22)23)14-18(15-20)9-6-4-2;/h7,10-12,18-20H,3-6,8-9,13-15H2,1-2H3,(H2,21,22,23);/q;+2/p-2


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