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Chemistry, part 2

Content language

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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 > halisulfate 2

Preferred term

halisulfate 2  

Type

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

Broader concept

charge

  • 0

formula

  • C25H39NaO5S

has_role

inchi

  • InChI=1S/C25H40O5S.Na/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24;/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28);/q;+1/p-1/b20-8+;/t22-,23?,25-;/m1./s1

inchikey

  • AWFRDBFYOVFNAL-XZBXZNDTSA-M

mass

  • 474.62900

monoisotopicmass

  • 474.24159

smiles

  • [Na+].C[C@@H]1CCC=C(C)[C@@]1(C)CC/C(C)=C/CCC(CCCc1ccoc1)COS([O-])(=O)=O

subset

  • 2_STAR

synonym RELATED

  • sodium[(E)-2-[3-(furan-3-yl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]oct-5-enyl]sulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69283

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