Compound C34H27N5O17S5

5-amino-3-[[4-[[8-(benzenesulfonyloxy)-3,6-disulfonaphthalen-1-yl]diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid

CAS: 117-45-3

Molecular Formula	`C34H27N5O17S5`
Molecular Weight	937.9 g/mol
LogP	3.9
Topological Polar Surface Area	408.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	22
Rotatable Bonds	12
Exact Mass	937.00055
Heavy Atoms	61
Complexity	2180.0

Chemical Identifiers

CAS Number	117-45-3
SMILES	`CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O`
InChIKey	`ZATSCOAQBZUOPT-UHFFFAOYSA-N`

📖 Product Overview

Compound C34H27N5O17S5 (CAS: 117-45-3) is a chemical compound with molecular formula C34H27N5O17S5 and molecular weight 937.9 g/mol. Its IUPAC systematic name is 5-amino-3-[[4-[[8-(benzenesulfonyloxy)-3,6-disulfonaphthalen-1-yl]diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid. LogP 3.9 Topological Polar Surface Area 408.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 22 Rotatable Bonds 12 Exact Mass 937.00055 Heavy Atoms 61 Complexity 2180.0 InChI Key: ZATSCOAQBZUOPT-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O.

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