CAS No. 36352-49-5

Chemical Identifiers

Linear Formula	C₆₀H₅₂Ca₅K₂N₄O₂₆
Pubchem CID	11979791
MDL Number	N/A
EC No.	252-990-0
IUPAC Name	2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid; calcium; potassium
SMILES	c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O)O.c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O)O.[K].[K].[Ca].[Ca].[Ca].[Ca].[Ca]
InchI Identifier	InChI=1S/2C30H26N2O13.5Ca.2K/c233-21-7-5-19-27(16(21)9-31(11-23(35)36)12-24(37)38)44-28-17(10-32(13-25(39)40)14-26(41)42)22(34)8-6-20(28)30(19)18-4-2-1-3-15(18)29(43)45-30;;;;;;;/h21-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;;;;
InchI Key	QIYLZCICMAIZDA-UHFFFAOYSA-N