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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > spinosulfate a
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > spinosulfate a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > spinosulfate a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > spinosulfate a
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > spinosulfate a
organic aromatic compound > phenols > 4-hydroxybenzoate ester > spinosulfate a

Preferred term

spinosulfate a  

Type

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

Broader concept

charge

  • 0

formula

  • C34H52O12S2

inchi

  • InChI=1S/C34H52O12S2/c1-3-5-6-7-8-9-12-15-19-27-23-28(35)24-32(36)33(27)34(37)44-29(17-4-2)20-16-13-10-11-14-18-26-21-30(45-47(38,39)40)25-31(22-26)46-48(41,42)43/h21-25,29,35-36H,3-20H2,1-2H3,(H,38,39,40)(H,41,42,43)/t29-/m0/s1

inchikey

  • ZXOKOJPNQMQCSF-LJAQVGFWSA-N

mass

  • 716.900

monoisotopicmass

  • 716.29002

smiles

  • S(=O)(=O)(OC1=CC(OS(=O)(=O)O)=CC(=C1)CCCCCCC[C@@H](OC(=O)C2=C(O)C=C(O)C=C2CCCCCCCCCC)CCC)O

subset

  • 2_STAR

synonym EXACT

  • 11-(3,5-disulooxyphenyl)undecan-4-yl 2-decyl-4,6-dihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201224

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