3-(4-butoxyphenyl)-2,6-diphenyl-thiopyrylium

Systemtic Name: 3-(4-butoxyphenyl)-2,6-diphenyl-thiopyrylium Openeye Name: 3-(4-butoxyphenyl)-2,6-diphenyl-thiopyrylium CAS Name: 3-(4-butoxyphenyl)-2,6-diphenylthiopyrylium IUPAC Name: 3-(4-butoxyphenyl)-2,6-diphenylthiopyrylium Traditional Name: 3-(4-butoxyphenyl)-2,6-diphenyl-thiopyrylium Formula: C27H25OS+ MolecularWeight: 397.5518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C([S+]=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C([S+]=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25OS/c1-2-3-20-28-24-16-14-21(15-17-24)25-18-19-26(22-10-6-4-7-11-22)29-27(25)23-12-8-5-9-13-23/h4-19H,2-3,20H2,1H3/q+1