CAS: 85409-48-9 - Thymolphthalexone sodium salt

Formula:C₃₈H₄₃N₂NaO₁₂

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);;

InChI key:InChIKey=IIOMADRKSIVUJY-UHFFFAOYSA-N

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

Synonyms:
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
Thymolphthalein complexone sodium salt
sodium 2-{(Z)-[3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl][3-{[bis(carboxymethyl)amino]methyl}-2-methyl-5-(1-methylethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]methyl}benzoate