4-[(E)-2-[(3E)-2-chloranyl-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenyl-thiopyrylium

Systemtic Name: 4-[(E)-2-[(3E)-2-chloranyl-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenyl-thiopyrylium Openeye Name: 4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-2,6-diphenyl-thiopyrylium CAS Name: 4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenyl-4-thiopyranylidene)ethylidene]-1-cyclohexenyl]ethenyl]-2,6-diphenylthiopyrylium IUPAC Name: 4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium Traditional Name: 4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-2,6-diphenyl-thiopyrylium Formula: C44H34ClS2+ MolecularWeight: 662.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=CC=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C1)Cl)C=CC5=CC(=[S+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CC(=C(/C(=C/C=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)/C1)Cl)/C=C/C5=CC(=[S+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H34ClS2/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37/h1-12,14-21,24-31H,13,22-23H2/q+1