O-CRESOLPHTHALEIN COMPLEXONE TETRASODIUM SALT

CAS No.
62698-54-8
CCD No.
CCD00449050
Formula
C32 H28 N2 O12 . 4 Na
MolWeight
724.535

Basic Information

Product Name: O-CRESOLPHTHALEIN COMPLEXONE TETRASODIUM SALT
CAS: 62698-54-8
English Synonyms: O-CRESOLPHTHALEIN COMPLEXONE TETRASODIUM SALT ; O-CRESOLPHTHALEXON SODIUM SALT ; O-CRESOLPHTALEIN COMPLEXONE SODIUM SALT ; PHTHALEIN COMPLEXONE SODIUM SALT
MDL Number.: MFCD04113773
H bond acceptor: 14
H bond donor: 2
Smile: Cc1cc(cc(c1O)CN(CC(=O)[O-])CC(=O)[O-])C2(c3ccccc3C(=O)O2)c4cc(c(c(c4)CN(CC(=O)[O-])CC(=O)[O-])O)C.[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C32H32N2O12.4Na/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42;;;;/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4
InChiKey: InChIKey=KSMPPVYJZJBIES-UHFFFAOYSA-J

Property

Comments: EINECS: 305-335-9
TSCA: Y
UNSPSC: 12352005
WATER SOLUBLE

Safety information

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