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3-butoxy-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid

3-butoxy-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid

Systemtic Name:3-butoxy-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid
Openeye Name:3-butoxy-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid
CAS Name:3-butoxy-6-(trioxidanylthio)pyrene-1,8-disulfonic acid
IUPAC Name:3-butoxy-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid
Traditional Name:3-butoxy-6-(trioxidanylthio)pyrene-1,8-disulfonic acid
Formula: C20H18O10S3
MolecularWeight: 514.54592
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOOO)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOOO)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C20H18O10S3/c1-2-3-8-28-15-9-17(32(22,23)24)13-6-7-14-18(33(25,26)27)10-16(31-30-29-21)12-5-4-11(15)19(13)20(12)14/h4-7,9-10,21H,2-3,8H2,1H3,(H,22,23,24)(H,25,26,27)


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