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Details

Stereochemistry MIXED
Molecular Formula C21H29O4.Na
Molecular Weight 368.4423
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM .ALPHA.-PHENYLPENTYL CAMPHORATE

SMILES

[Na+].CCCCC(OC(=O)C1(C)CCC(C([O-])=O)C1(C)C)C2=CC=CC=C2

InChI

InChIKey=BQQNNFIQWYZEDL-UHFFFAOYSA-M
InChI=1S/C21H30O4.Na/c1-5-6-12-17(15-10-8-7-9-11-15)25-19(24)21(4)14-13-16(18(22)23)20(21,2)3;/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,23);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
CAMPHORIC ACID, 1-(.ALPHA.-BUTYLBENZYL) ESTER, SODIUM SALT
Preferred Name English
SODIUM .ALPHA.-PHENYLPENTYL CAMPHORATE
Systematic Name English
1,3-CYCLOPENTANEDICARBOXYLIC ACID, 1,2,2-TRIMETHYL-, 1-(1-PHENYLPENTYL) ESTER, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23690146
Created by admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
PRIMARY
FDA UNII
JMI2J3HV6T
Created by admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
PRIMARY
CAS
4201-91-6
Created by admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-107-9
Created by admin on Mon Mar 31 23:11:39 GMT 2025 , Edited by admin on Mon Mar 31 23:11:39 GMT 2025
PRIMARY
NIH
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