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

Systemtic Name: 4-[(E)-2-(4-bromophenyl)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]-2,6-ditert-butyl-thiopyrylium Openeye Name: 4-[(E)-2-(4-bromophenyl)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]-2,6-ditert-butyl-thiopyrylium CAS Name: 4-[(E)-2-(4-bromophenyl)-3-(2,6-ditert-butyl-4-thiopyranylidene)prop-1-enyl]-2,6-ditert-butylthiopyrylium IUPAC Name: 4-[(E)-2-(4-bromophenyl)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]-2,6-ditert-butylthiopyrylium Traditional Name: 4-[(E)-2-(4-bromophenyl)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]-2,6-ditert-butyl-thiopyrylium Formula: C35H46BrS2+ MolecularWeight: 610.77374

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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)C3=CC=C(C=C3)Br)C=C(S1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C/C(=C\C2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)/C3=CC=C(C=C3)Br)C=C(S1)C(C)(C)C

InChI

InChI=1S/C35H46BrS2/c1-32(2,3)28-19-23(20-29(37-28)33(4,5)6)17-26(25-13-15-27(36)16-14-25)18-24-21-30(34(7,8)9)38-31(22-24)35(10,11)12/h13-22H,1-12H3/q+1