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sodium 2-tetratriacontan-17-yloxycarbonylbenzoate

sodium 2-tetratriacontan-17-yloxycarbonylbenzoate

Systemtic Name:sodium 2-tetratriacontan-17-yloxycarbonylbenzoate
Openeye Name:sodium 2-(1-hexadecyloctadecoxycarbonyl)benzoate
CAS Name:sodium 2-[oxo(tetratriacontan-17-yloxy)methyl]benzoate
IUPAC Name:sodium 2-tetratriacontan-17-yloxycarbonylbenzoate
Traditional Name:sodium 2-(1-cetyloctadecoxycarbonyl)benzoate
Formula: C42H73NaO4
MolecularWeight: 665.01639
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]


InChI

InChI=1S/C42H74O4.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-38(46-42(45)40-37-33-32-36-39(40)41(43)44)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h32-33,36-38H,3-31,34-35H2,1-2H3,(H,43,44);/q;+1/p-1


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