Compound C20H28N4O9S2

4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)

CAS: 533-22-2

Molecular Formula	`C20H28N4O9S2`
Molecular Weight	532.6 g/mol
Topological Polar Surface Area	286.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	532.12976
Heavy Atoms	35
Complexity	530.0

Chemical Identifiers

CAS Number	533-22-2
SMILES	`C1=CC(=CC=C1C=CC2=C(C=C(C=C2)C(=N)N)O)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O`
InChIKey	`XVTQTNAKZYLTNZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H28N4O9S2 (CAS: 533-22-2) is a chemical compound with molecular formula C20H28N4O9S2 and molecular weight 532.6 g/mol. Its IUPAC systematic name is 4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide;bis(2-hydroxyethanesulfonic acid). Topological Polar Surface Area 286.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 11 Rotatable Bonds 8 Exact Mass 532.12976 Heavy Atoms 35 Complexity 530.0 InChI Key: XVTQTNAKZYLTNZ-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C=CC2=C(C=C(C=C2)C(=N)N)O)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O.

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