dimethyl-[4-(4-pyren-1-ylbutanoyl)phenyl]sulfanium

Systemtic Name: dimethyl-[4-(4-pyren-1-ylbutanoyl)phenyl]sulfanium Openeye Name: dimethyl-[4-(4-pyren-1-ylbutanoyl)phenyl]sulfonium CAS Name: dimethyl-[4-[1-oxo-4-(1-pyrenyl)butyl]phenyl]sulfonium IUPAC Name: dimethyl-[4-(4-pyren-1-ylbutanoyl)phenyl]sulfanium Traditional Name: dimethyl-[4-(4-pyren-1-ylbutanoyl)phenyl]sulfonium Formula: C28H25OS+ MolecularWeight: 409.5625

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1=CC=C(C=C1)C(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C[S+](C)C1=CC=C(C=C1)C(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C28H25OS/c1-30(2)24-16-13-20(14-17-24)26(29)8-4-5-19-9-10-23-12-11-21-6-3-7-22-15-18-25(19)28(23)27(21)22/h3,6-7,9-18H,4-5,8H2,1-2H3/q+1