butyl-[4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium

Systemtic Name: butyl-[4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium Openeye Name: butyl-[4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]oxonium CAS Name: butyl-[4-(2,6-diphenyl-4-thiopyranylidene)-1-cyclohexa-2,5-dienylidene]oxonium IUPAC Name: butyl-[4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]oxidanium Traditional Name: butyl-[4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]oxonium Formula: C27H25OS+ MolecularWeight: 397.5518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[O+]=C1C=CC(=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CCCC[O+]=C1C=CC(=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1

InChI

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