Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium salt
CAS Registry Number®
85409-48-9
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CAS Name
Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium saltMolecular Formula
C38H44N2O12.2NaCite this Page
Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=85409-48-9 (retrieved ) (CAS RN: 85409-48-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C38H44N2O12.2Na/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48;;/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);;
InChIKey
InChIKey=IIOMADRKSIVUJY-UHFFFAOYSA-N
SMILES
CC1=C(C2(C=3C(C(=O)O2)=CC=CC3)C4=C(C)C(CN(CC(O)=O)CC(O)=O)=C(O)C(C(C)C)=C4)C=C(C(C)C)C(O)=C1CN(CC(O)=O)CC(O)=O.[Na]
Canonical SMILES
[Na].O=C1OC(C=2C=CC=CC12)(C3=CC(=C(O)C(=C3C)CN(CC(=O)O)CC(=O)O)C(C)C)C4=CC(=C(O)C(=C4C)CN(CC(=O)O)CC(=O)O)C(C)C
Other Names for this Substance
- Glycine, N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, disodium salt
Deleted or Replaced CAS Registry Numbers
343338-30-7
