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CAS Number: 60893-67-6
5-(4-carboxyphenoxy)isophthalic acid

Structure

5-(4-carboxyphenoxy)isophthalic acid
Name: 5-(4-carboxyphenoxy)isophthalic acid
Synonyms:
General Information
Product Number: 60893676

CAS Registry Number 60893-67-6
Name:
1,​3-​Benzenedicarboxylic acid, 5-​(4-​carboxyphenoxy)​-
5-(4-Carboxyphenoxy)isophthalic acid

 

Chemical Formula: C15H10O7
Exact Mass: 302.04
Molecular Weight: 302.24
m/z: 302.04 (100.0%), 303.05 (16.6%), 304.05 (2.7%)

 

InChI:InChI=1S/C15H23N4O12P3S/c1-9-13(4-6-30-34(27,28)31-33(24,25)26)35-15(12(20)3-5-29-32(21,22)23)19(9)8-11-7-17-10(2)18-14(11)16/h7H,3-6,8H2,1-2H3,(H6-,16,17,18,21,22,23,24,25,26,27,28)/p+1

InChI Key:OIDIYEZUBPKNBV-UHFFFAOYSA-O

Canonical SMILES:CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(=O)CCOP(=O)(O)O)CCOP(=O)(O)OP(=O)(O)O

Specification

98%

References
  1. (1) Lama, Prem; Crystal Growth & Design 2010, V10(1), P283-290 CAPLUS
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