InChI=1S/C20H16O11S3.3Na/c1-2-3-18(21)31-14-8-15(32(22,23)24)11-6-7-13-17(34(28,29)30)9-16(33(25,26)27)12-5-4-10(14)19(11)20(12)13;;;/h4-9H,2-3H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3

【InChIKey】

InChIKey=AXRHQOVIZNDJOE-UHFFFAOYSA-K

【SMILES】

CCCC(=O)Oc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

【MOL File】

8-BUTYRYLOXYPYRENE-1….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:11

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS07

【hazard symbol】

【Risk Code】

36/37/38

【Safe Code】

【WGK Germany】

4CML File

8-BUTYRYLOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT.cml

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1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】