Chem
J-GLOBAL ID:200907050933681103   Nikkaji number:J172.188G

Bis[3,4-di(12-nonadecenyloxycarbonyl)benzenesulfonic acid]calcium salt

ビス[3,4-ジ(12-ノナデセニルオキシカルボニル)ベンゼンスルホン酸]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: C92H154CaO14S2
Molecular formula furigana: C92-H154-CA-O14-S2
Molecular weight: 1588.430
InChI: InChI=1S/2C46H78O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-52-45(47)43-38-37-42(54(49,50)51)41-44(43)46(48)53-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*13-16,37-38,41H,3-12,17-36,39-40H2,1-2H3,(H,49,50,51);/q;;+2/p-2
InChI key: FOKKDGPOMBTPNS-UHFFFAOYSA-L
SMILES: CCCCCCC=CCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)OCCCCCCCCCCCC=CCCCCCC)S(=O)(=O)O[Ca]OS(=O)(=O)c1ccc(C(=O)OCCCCCCCCCCCC=CCCCCCC)c(c1)C(=O)OCCCCCCCCCCCC=CCCCCCC
Systematic name  (3):
  • ビス[3,4-ジ(12-ノナデセニルオキシカルボニル)ベンゼンスルホン酸]カルシウム
  • 1,2-ビス(ノナデカ-12-エン-1-イル) 4-({[({3,4-ビス[(ノナデカ-12-エン-1-イルオキシ)カルボニル]ベンゼンスルホニル}オキシ)カルシオ]オキシ}スルホニル)ベンゼン-1,2-ジカルボキシラート
  • 1,2-bis(nonadec-12-en-1-yl) 4-({[({3,4-bis[(nonadec-12-en-1-yloxy)carbonyl]benzenesulfonyl}oxy)calcio]oxy}sulfonyl)benzene-1,2-dicarboxylate
Other name (1):
  • Bis[3,4-di(12-nonadecenyloxycarbonyl)benzenesulfonic acid]calcium salt
Regulation number (1):
  • (3)-2136
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