6-decoxy-8-oxidanyl-pyrene-1,3-disulfonic acid

Systemtic Name: 6-decoxy-8-oxidanyl-pyrene-1,3-disulfonic acid Openeye Name: 6-decoxy-8-hydroxy-pyrene-1,3-disulfonic acid CAS Name: 6-decoxy-8-hydroxypyrene-1,3-disulfonic acid IUPAC Name: 6-decoxy-8-hydroxypyrene-1,3-disulfonic acid Traditional Name: 6-decoxy-8-hydroxy-pyrene-1,3-disulfonic acid Formula: C26H30O8S2 MolecularWeight: 534.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H30O8S2/c1-2-3-4-5-6-7-8-9-14-34-22-15-21(27)17-10-12-19-23(35(28,29)30)16-24(36(31,32)33)20-13-11-18(22)25(17)26(19)20/h10-13,15-16,27H,2-9,14H2,1H3,(H,28,29,30)(H,31,32,33)