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1,3,6-trisodium 8-hydroxypyrene-1,3,6-trisulfonate

1,3,6-trisodium 8-hydroxypyrene-1,3,6-trisulfonate

CAS: 6358-69-6

Formula: C16H7Na3O10S3

SMILES: OC1=CC(=C2C=CC3=C4C(C=CC1=C24)=C(C=C3S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]

IUPAC: 1,3,6-trisodium 8-hydroxypyrene-1,3,6-trisulfonate

InChI: InChI=1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3

Composition: C (36.65%), H (1.35%), Na (13.15%), O (30.51%), S (18.34%)

Molar Mass: 524.37

Atom Count: 39

Heavy Atom Count: 32

Properties
Properties
Common Names C.I. solvent green 7; D&c green no. 8; japan green 204; pyranine; solvent green 7
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 523.88944279
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey KXXXUIKPSVVSAW-UHFFFAOYSA-K
Lipinski's Rule of Five
Molar Refractivity 96.93
Topological Polar Surface Area 150.34
Polarizability 49.56
Ring Count 4
Rotatable Bond Count 6

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