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

Systemtic Name: 3-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid Openeye Name: 3-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid CAS Name: 3-(3-methoxypropoxy)-6-(trioxidanylthio)pyrene-1,8-disulfonic acid IUPAC Name: 3-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid Traditional Name: 3-(3-methoxypropoxy)-6-(trioxidanylthio)pyrene-1,8-disulfonic acid Formula: C20H18O11S3 MolecularWeight: 530.54532

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Descriptors Computed from Structure

Canonical SMILES:

COCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOOO)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOOO)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H18O11S3/c1-28-7-2-8-29-15-9-17(33(22,23)24)13-5-6-14-18(34(25,26)27)10-16(32-31-30-21)12-4-3-11(15)19(13)20(12)14/h3-6,9-10,21H,2,7-8H2,1H3,(H,22,23,24)(H,25,26,27)