Chem
J-GLOBAL ID:200907048210411707   Nikkaji number:J159.275K

Bis(3′-hydroxy-2-tridecyl[oxybisbenzene]-4-sulfonic acid)calcium salt

ビス(3′-ヒドロキシ-2-トリデシル[オキシビスベンゼン]-4-スルホン酸)カルシウム
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C50H70CaO10S2
Molecular formula furigana: C50-H70-CA-O10-S2
Molecular weight: 935.300
InChI: InChI=1S/2C25H36O5S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-14-21-19-24(31(27,28)29)17-18-25(21)30-23-16-13-15-22(26)20-23;/h2*13,15-20,26H,2-12,14H2,1H3,(H,27,28,29);/q;;+2/p-2
InChI key: TYWFVWSKVKFMTQ-UHFFFAOYSA-L
SMILES: CCCCCCCCCCCCCc1cc(ccc1Oc1cccc(O)c1)S(=O)(=O)O[Ca]OS(=O)(=O)c1ccc(Oc2cccc(O)c2)c(CCCCCCCCCCCCC)c1
Systematic name  (3):
  • ビス(3′-ヒドロキシ-2-トリデシル[オキシビスベンゼン]-4-スルホン酸)カルシウム
  • {[4-(3-ヒドロキシフェノキシ)-3-トリデシルベンゼンスルホニル]オキシ}カルシオ 4-(3-ヒドロキシフェノキシ)-3-トリデシルベンゼン-1-スルホナート
  • {[4-(3-hydroxyphenoxy)-3-tridecylbenzenesulfonyl]oxy}calcio 4-(3-hydroxyphenoxy)-3-tridecylbenzene-1-sulfonate
Other name (1):
  • Bis(3′-hydroxy-2-tridecyl[oxybisbenzene]-4-sulfonic acid)calcium salt
Regulation number (1):
  • (3)-2018
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