skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > ps3061

Preferred term

ps3061  

Type

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

Broader concept

charge

  • 0

formula

  • C53H75BrN8O8

inchi

  • InChI=1S/C53H75BrN8O8/c1-31(2)24-40-50(66)59(10)35(9)53(69)70-46(18-15-23-55)49(65)58-42(26-33(5)6)52(68)60(11)44(27-34(7)8)47(63)57-41(25-32(3)4)51(67)61(12)45(48(64)56-40)28-37-30-62(43-17-14-13-16-39(37)43)29-36-19-21-38(54)22-20-36/h13-14,16-17,19-22,30-35,40-42,44-46H,15,18,24-29H2,1-12H3,(H,56,64)(H,57,63)(H,58,65)

inchikey

  • YYGUUQZMWURKTR-UHFFFAOYSA-N

mass

  • 1032.135

monoisotopicmass

  • 1030.48912

smiles

  • BrC1=C(C(=C(C(N2C(=C(C(C3(N(C(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(OC(=O)C(N(C(=O)C(N(C3=O)[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])C([H])([H])[H])(C([H])([H])[H])[H])(C(C(C#N)([H])[H])([H])[H])[H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])C([H])([H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])[H])(C(C(C([H])([H])[H])(C([H])([H])[H])[H])([H])[H])[H])C([H])([H])[H])[H])([H])[H])C=4C2=C(C(=C(C4[H])[H])[H])[H])[H])([H])[H])C(=C1[H])[H])[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189655

Download this concept:

RDF/XML TURTLE JSON-LD