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trisodium 4,5-dihydroxy-3-[2-(4-sulfophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid

trisodium 4,5-dihydroxy-3-[2-(4-sulfophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid

CAS: 23647-14-5

Formula: C16H12N2Na3O11S3

SMILES: [Na+].[Na+].[Na+].OC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O

IUPAC: trisodium 4,5-dihydroxy-3-[2-(4-sulfophenyl)diazen-1-yl]naphthalene-2,7-disulfonic acid

InChI: InChI=1S/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1

Composition: C (33.51%), H (2.11%), N (4.89%), Na (12.03%), O (30.69%), S (16.77%)

Molar Mass: 573.42

Atom Count: 47

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 572.92798484
Formal Charge 3
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 5
InChIKey AEHGQXKBQBMQEK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 112.66
Topological Polar Surface Area 228.29
Polarizability 44.4
Ring Count 3
Rotatable Bond Count 5

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