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pyrene-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol

pyrene-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol

Systemtic Name:pyrene-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol
Openeye Name:pyrene-1-sulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol
CAS Name:1-pyrenesulfonate; 4-(1-thiolan-1-iumyl)phenol
IUPAC Name:pyrene-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol
Traditional Name:pyrene-1-sulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol
Formula: C26H22O4S2
MolecularWeight: 462.58048
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=CC=C(C=C2)O.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]


Isomeric SMILES

C1CC[S+](C1)C2=CC=C(C=C2)O.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]


InChI

InChI=1S/C16H10O3S.C10H12OS/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-9H,(H,17,18,19);3-6H,1-2,7-8H2


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