[4-[5-(4-ethoxyphenyl)-6-methylsulfanyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-oxidanium iodide

Systemtic Name: [4-[5-(4-ethoxyphenyl)-6-methylsulfanyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-oxidanium iodide Openeye Name: [4-[5-(4-ethoxyphenyl)-6-methylsulfanyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-oxonium iodide CAS Name: [4-[5-(4-ethoxyphenyl)-6-(methylthio)-2-thiopyranylidene]-1-cyclohexa-2,5-dienylidene]-ethyloxonium iodide IUPAC Name: [4-[5-(4-ethoxyphenyl)-6-methylsulfanylthiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-ethyloxidanium iodide Traditional Name: ethyl-[4-[6-(methylthio)-5-p-phenetyl-thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]oxonium iodide Formula: C22H23IO2S2 MolecularWeight: 510.45129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C3C=CC(=[O+]CC)C=C3)C=C2)SC.[I-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C3C=CC(=[O+]CC)C=C3)C=C2)SC.[I-]

InChI

InChI=1S/C22H23O2S2.HI/c1-4-23-18-10-6-16(7-11-18)20-14-15-21(26-22(20)25-3)17-8-12-19(13-9-17)24-5-2;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1