2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium chloride

Systemtic Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium chloride Openeye Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium chloride CAS Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butyl-4-thiopyranylidene)prop-1-enyl]thiopyrylium chloride IUPAC Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium chloride Traditional Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium chloride Formula: C29H43ClS2 MolecularWeight: 491.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=CC2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=C/C=C/C2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.[Cl-]

InChI

InChI=1S/C29H43S2.ClH/c1-26(2,3)22-16-20(17-23(30-22)27(4,5)6)14-13-15-21-18-24(28(7,8)9)31-25(19-21)29(10,11)12;/h13-19H,1-12H3;1H/q+1;/p-1