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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > stilbenoid > (2e)-3-ethyl-2-[(2z)-2-[[3-ethyl-6-[(e)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > stilbenoid > (2e)-3-ethyl-2-[(2z)-2-[[3-ethyl-6-[(e)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > (2e)-3-ethyl-2-[(2z)-2-[[3-ethyl-6-[(e)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > (2e)-3-ethyl-2-[(2z)-2-[[3-ethyl-6-[(e)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride

Preferred term

(2e)-3-ethyl-2-[(2z)-2-[[3-ethyl-6-[(e)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C33H35N2S2.Cl

has_role

inchi

  • InChI=1S/C33H35N2S2.ClH/c1-6-25(22-33-35(8-3)29-18-23(4)24(5)19-30(29)36-33)21-32-34(7-2)28-17-16-27(20-31(28)37-32)15-14-26-12-10-9-11-13-26;/h9-22H,6-8H2,1-5H3;1H/q+1;/p-1/b15-14+;

inchikey

  • AMVJFNIDTMSNHR-WPDLWGESSA-M

mass

  • 559.230

monoisotopicmass

  • 558.19302

smiles

  • [Cl-].[N+]1(=C(SC2=C1C=C(C(C)=C2)C)/C=C(/C=C/3/N(C=4C=CC(/C=C/C5=CC=CC=C5)=CC4S3)CC)/CC)CC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149995

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