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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > botryosulfuranol b
organooxygen compound > botryosulfuranol b

Preferred term

botryosulfuranol b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24N2O6S2

has_functional_parent

inchi

  • InChI=1S/C21H24N2O6S2/c1-22-18(27)21(31-3)16(25)19(11-7-6-10-14(19)24)29-23(21)17(26)20(22)15(30-2)12-8-4-5-9-13(12)28-20/h4-5,8-9,15-16,25H,6-7,10-11H2,1-3H3/t15-,16-,19+,20+,21-/m0/s1

inchikey

  • FFUFIKVVLJPVQD-KHDMTIDOSA-N

mass

  • 464.550

monoisotopicmass

  • 464.10758

smiles

  • S([C@@]12N(O[C@@]3([C@@H]1O)C(=O)CCCC3)C(=O)[C@@]4(OC=5C=CC=CC5[C@@H]4SC)N(C2=O)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227484

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