93919-28-9 Purity
96%
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The molecular formula is C37H26N6O12S3.
It was created on 2005-08-08 and last modified on 2023-12-30.
The IUPAC Name is 4-hydroxy-7-[[5-hydroxy-8-sulfo-7-[(7-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid.
The InChIKey is LDKLPAISLIHHTB-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=C(C(=CC(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=CC(=C7)S(=O)(=O)O)S(=O)(=O)O.
The molecular weight is 842.8 g/mol.
It has 7 hydrogen bond donor counts.
The XLogP3-AA value is 5.3.
The exact mass is 842.07708381 g/mol.
It has a topological polar surface area of 319 Ų.