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[3-carboxy-2,29-bis(oxidanyl)nonacosyl]-trimethyl-azanium

[3-carboxy-2,29-bis(oxidanyl)nonacosyl]-trimethyl-azanium

Systemtic Name:[3-carboxy-2,29-bis(oxidanyl)nonacosyl]-trimethyl-azanium
Openeye Name:(3-carboxy-2,29-dihydroxy-nonacosyl)-trimethyl-ammonium
CAS Name:(3-carboxy-2,29-dihydroxynonacosyl)-trimethylammonium
IUPAC Name:(3-carboxy-2,29-dihydroxynonacosyl)-trimethylazanium
Traditional Name:(3-carboxy-2,29-dihydroxy-nonacosyl)-trimethyl-ammonium
Formula: C33H68NO4+
MolecularWeight: 542.89732
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(CCCCCCCCCCCCCCCCCCCCCCCCCCO)C(=O)O)O


Isomeric SMILES

C[N+](C)(C)CC(C(CCCCCCCCCCCCCCCCCCCCCCCCCCO)C(=O)O)O


InChI

InChI=1S/C33H67NO4/c1-34(2,3)30-32(36)31(33(37)38)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-35/h31-32,35-36H,4-30H2,1-3H3/p+1


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