9-(2,6-diphenylthiopyran-4-ylidene)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-1-ium

Systemtic Name: 9-(2,6-diphenylthiopyran-4-ylidene)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-1-ium Openeye Name: 9-(2,6-diphenylthiopyran-4-ylidene)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-1-ium CAS Name: 9-(2,6-diphenyl-4-thiopyranylidene)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-1-ium IUPAC Name: 9-(2,6-diphenylthiopyran-4-ylidene)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-1-ium Traditional Name: 9-(2,6-diphenylthiopyran-4-ylidene)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-1-ium Formula: C27H23O3S+ MolecularWeight: 427.53472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=C3C=C(SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=CC2=[O+]CCO1

Isomeric SMILES

C1COC2=CC(=C3C=C(SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=CC2=[O+]CCO1

InChI

InChI=1S/C27H23O3S/c1-3-7-20(8-4-1)26-18-23(19-27(31-26)21-9-5-2-6-10-21)22-11-12-24-25(17-22)30-16-14-28-13-15-29-24/h1-12,17-19H,13-16H2/q+1